canSAR1632192
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(O)cc(Nc3ccc(OC)cc3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C33H43N3O6S/c1-7-31(4)17-24(32(5)19(2)12-14-33(20(3)29(31)40)15-13-23(37)28(32)33)42-27(39)18-43-30-35-25(16-26(38)36-30)34-21-8-10-22(41-6)11-9-21/h7-11,16,19-20,24,28-29,40H,1,12-15,17-18H2,2-6H3,(H2,34,35,36,38)/t19-,20+,24-,28+,29+,31-,32+,33+/m1/s1
    MOLECULAR FORMULA
    C33H43N3O6S
    CROSS REFERENCES
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    canSAR1632192
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight609.29
    AlogP5.93
    HBond donors3
    HBond acceptors9
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632192.