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canSAR1958555
FEATURES
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NAMES
    SMILES
    COc1cccc2c1N(C)CC=C2N[C@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](NC3CCN(C)CC3)CC2)CC1
    InChI
    InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23-,24-
    MOLECULAR FORMULA
    C30H47N5O2
    CROSS REFERENCES
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    canSAR1958555

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.37
    AlogP 3.75
    HBond donors 3
    HBond acceptors 7
    Atoms 84
    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 canSAR1958555.