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canSAR1519810
FEATURES
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NAMES
    SMILES
    COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(C=NNC(=S)N3CCCCC3)c(C(=O)O)c1O)CC2
    InChI
    InChI=1S/C32H29N3O9S/c1-13-18(36)11-17-22(25(13)37)29(41)24-23(26(17)38)28(40)21-16(30(24)44-2)7-6-14-10-15(20(31(42)43)27(39)19(14)21)12-33-34-32(45)35-8-4-3-5-9-35/h10-12,36-37,39-40H,3-9H2,1-2H3,(H,34,45)(H,42,43)
    MOLECULAR FORMULA
    C32H29N3O9S
    CROSS REFERENCES
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    canSAR1519810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.16
    AlogP 3.76
    HBond donors 6
    HBond acceptors 12
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1519810.