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2-Octyl-4-isothiazolin-3-oneCas#: 26530-20-1 Compound CID: 33528Formula: C11H19NOS Molecular Weight: 213.34IUPAC Name: 2-octyl-1,2-thiazol-3-oneSMILES: CCCCCCCCN1C(=O)C=CS1InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-NInChI: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3Synonyms: 2-n-Octyl-3-isothiazolone | 2-Octyl-3-isothiazolone | Kathon 893 | AS-11894 | Tox21_201459 | 2-Octyl-3-isothioazolone...
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TriadimenolCas#: 55219-65-3 Compound CID: 41368Formula: C14H18ClN3O2 Molecular Weight: 295.76IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-olSMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)OInChIKey: BAZVSMNPJJMILC-UHFFFAOYSA-NInChI: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3Synonyms: NCGC00088160-03 | a-(4-chlorophenoxy)-b-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | Baytan | DTXSID0032493 | NC...
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Butyric acid, Agonist of FFA2 receptor;Agonist of FFA3 receptor;Agonist of HCA 2 receptor;Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 8Cas#: 107-92-6 Compound CID: 264Formula: C4H8O2 Molecular Weight: 88.11IUPAC Name: butanoic acidSMILES: CCCC(=O)OInChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-NInChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)Synonyms: butyric acid|butanoic acid|107-92-6|n-Butyric acid|n-Butanoic acid|propylformic acid|ethylacetic acid|1-propanecarbox...
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Hexachlorophene, Bacterial enoyl-[acyl-carrier-protein] reductase inhibitorCas#: 70-30-4 Compound CID: 3598Formula: CH2[C6H(Cl)3OH]2 Molecular Weight: 406.9IUPAC Name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenolSMILES: C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)ClInChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-NInChI: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2Synonyms: 2,2'-methanediylbis(3,4,6-trichlorophenol) | hexachlorophene | IWW5FV6NK2 | 2,5,6-trichlorophenol) | 6,6'-Methylenebi...
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2-Octyl-4-isothiazolin-3-oneCas#: 26530-20-1 Compound CID: 33528Formula: C11H19NOS Molecular Weight: 213.34IUPAC Name: 2-octyl-1,2-thiazol-3-oneSMILES: CCCCCCCCN1C(=O)C=CS1InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-NInChI: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3Synonyms: 2-n-Octyl-3-isothiazolone | 2-Octyl-3-isothiazolone | Kathon 893 | AS-11894 | Tox21_201459 | 2-Octyl-3-isothioazolone...
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AndrographolideCas#: 5508-58-7 Compound CID: 5318517Formula: C20H30O5 Molecular Weight: 350.45IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-oneSMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OInChIKey: BOJKULTULYSRAS-OTESTREVSA-NInChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1Synonyms: ANDROGRAPHOLIDE [MI] | DTXCID1025980 | Q-100624 | DTXSID3045980 | (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-...
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Butyric acidCas#: 107-92-6 Compound CID: 264Formula: C4H8O2 Molecular Weight: 88.11IUPAC Name: butanoic acidSMILES: CCCC(=O)OInChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-NInChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)Synonyms: butyric acid|butanoic acid|107-92-6|n-Butyric acid|n-Butanoic acid|propylformic acid|ethylacetic acid|1-propanecarbox...
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FipronilCas#: 120068-37-3 Compound CID: 3352Formula: C12H4Cl2F6N4OS Molecular Weight: 437.15IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrileSMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)FInChIKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2Synonyms: fipronil|120068-37-3|Termidor|Fipronil [ISO]|RM 1601|MB 46030|(+/-)-Fipronil|HSDB 7051|NSC-758960|UNII-QGH063955F|FRO...
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FipronilCas#: 120068-37-3 Compound CID: 3352Formula: C12H4Cl2F6N4OS Molecular Weight: 437.15IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrileSMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)FInChIKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2Synonyms: 5-Amino-1- | BCP14931 | NCGC00094574-03 | 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethyls...