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canSAR1089219
FEATURES
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NAMES
    SMILES
    CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H](NCc3cccnc3)CC[C@]12C
    InChI
    InChI=1S/C25H40N2O/c1-18(2)8-6-9-19(3)21-11-13-25(5)23(28)22(12-14-24(21,25)4)27-17-20-10-7-15-26-16-20/h7,10,15-16,18-19,21-22,27H,6,8-9,11-14,17H2,1-5H3/t19-,21-,22+,24-,25+/m1/s1
    MOLECULAR FORMULA
    C25H40N2O
    CROSS REFERENCES
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    canSAR1089219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.31
    AlogP 5.79
    HBond donors 1
    HBond acceptors 3
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089219.