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canSAR1151780
FEATURES
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NAMES
    SMILES
    CN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1
    InChI
    InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)/t30-,33+/m1/s1
    MOLECULAR FORMULA
    C35H48N6O3S
    CROSS REFERENCES
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    canSAR1151780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.35
    AlogP 5.25
    HBond donors 1
    HBond acceptors 9
    Atoms 93
    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 canSAR1151780.