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canSAR832912
FEATURES
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NAMES
    SMILES
    Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1
    InChI
    InChI=1S/C35H47N5O/c1-26-36-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-35(27-10-4-2-5-11-27)18-21-38(22-19-35)34(41)37-28-12-6-3-7-13-28/h2,4-5,8-11,14-15,28-31H,3,6-7,12-13,16-25H2,1H3,(H,37,41)/t29-,30+,31+
    MOLECULAR FORMULA
    C35H47N5O
    CROSS REFERENCES
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    canSAR832912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.38
    AlogP 6.98
    HBond donors 1
    HBond acceptors 6
    Atoms 88
    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 canSAR832912.