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canSAR1688577
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NAMES
    SMILES
    COc1cc(OC)c2c(c1C(CCN1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)CC2c1ccc(N(C)C)cc1
    InChI
    InChI=1S/C35H45N3O4/c1-36(2)26-14-10-24(11-15-26)28(18-21-38-19-8-7-9-20-38)33-30(40-5)23-31(41-6)34-29(22-32(39)42-35(33)34)25-12-16-27(17-13-25)37(3)4/h10-17,23,28-29H,7-9,18-22H2,1-6H3
    MOLECULAR FORMULA
    C35H45N3O4
    CROSS REFERENCES
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    canSAR1688577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.34
    AlogP 6.28
    HBond donors 0
    HBond acceptors 7
    Atoms 87
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688577.