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canSAR934202
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(CC(=O)NCc3cccnc3)C[C@@H]12
    InChI
    InChI=1S/C27H32N2O4/c1-27-8-7-19-20(6-5-17-11-23(30)24(33-2)13-21(17)19)22(27)10-18(26(27)32)12-25(31)29-15-16-4-3-9-28-14-16/h3-4,9,11,13-14,18-20,22,30H,5-8,10,12,15H2,1-2H3,(H,29,31)/t18?,19-,20+,22-,27-/m0/s1
    MOLECULAR FORMULA
    C27H32N2O4
    CROSS REFERENCES
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    canSAR934202

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.24
    AlogP 4.15
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR934202.