Metabolites

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  1. KRN-633, Vascular endothelial growth factor receptor inhibitor
    Cas#: 286370-15-8        Compound CID:  9549295
    Formula:  C20H21ClN4O4        Molecular Weight: 416.87
    IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea
    SMILES: CCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)Cl
    InChIKey: VPBYZLCHOKSGRX-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
    Synonyms: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea | 1-(2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)ox...
  2. cholest-5-ene-3,25-diol, Agonist of GPR183;Agonist of RAR-related orphan receptor-γ
    Cas#: 2140-46-7        Compound CID:  65094
    Formula:  C27H46O2        Molecular Weight: 402.653
    IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N
    InChI: InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
    Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec...
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