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canSAR549779
FEATURES
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NAMES
    SMILES
    CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C(=O)C(C)C)CC1
    InChI
    InChI=1S/C36H50ClN5O3/c1-25(2)23-36(13-15-40(16-14-36)34(44)26(3)4)42-19-17-41(18-20-42)35(45)32(21-27-9-11-29(37)12-10-27)39-33(43)22-31-30-8-6-5-7-28(30)24-38-31/h5-12,25-26,31-32,38H,13-24H2,1-4H3,(H,39,43)/t31?,32-/m1/s1
    MOLECULAR FORMULA
    C36H50ClN5O3
    CROSS REFERENCES
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    canSAR549779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.36
    AlogP 4.81
    HBond donors 2
    HBond acceptors 8
    Atoms 95
    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 canSAR549779.