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canSAR1447612
FEATURES
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NAMES
    SMILES
    CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)c(F)cc12
    InChI
    InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-23-29(19-12-21(32)20(31)13-22(19)34-27(29)38)24(15-5-4-6-16(30)11-15)25(35-23)26(37)33-17-7-9-18(36)10-8-17/h4-6,11-13,17-18,23-25,35-36H,7-10,14H2,1-3H3,(H,33,37)(H,34,38)/t17?,18-,23-,24-,25+,29+/m0/s1
    MOLECULAR FORMULA
    C29H34Cl2FN3O3
    CROSS REFERENCES
    1447612 logo

    canSAR1447612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.20
    AlogP 5.30
    HBond donors 4
    HBond acceptors 6
    Atoms 72
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1447612.