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canSAR1108440
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(NC(=O)N(C[C@H]2CC[C@H](CN(C(=O)Nc3ccc(N(C)C)cc3)C3CCCCC3)CC2)C2CCCCC2)cc1
    InChI
    InChI=1S/C38H58N6O2/c1-41(2)33-23-19-31(20-24-33)39-37(45)43(35-11-7-5-8-12-35)27-29-15-17-30(18-16-29)28-44(36-13-9-6-10-14-36)38(46)40-32-21-25-34(26-22-32)42(3)4/h19-26,29-30,35-36H,5-18,27-28H2,1-4H3,(H,39,45)(H,40,46)/t29-,30-
    MOLECULAR FORMULA
    C38H58N6O2
    CROSS REFERENCES
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    canSAR1108440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.46
    AlogP 8.66
    HBond donors 2
    HBond acceptors 8
    Atoms 104
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1108440.