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canSAR183626
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
    InChI
    InChI=1S/C30H40N4O4S/c1-29(2,3)38-28(37)32-24(9-10-39-4)26(35)33-34-27(36)25-14-22(21-7-5-6-8-23(21)31-25)30-15-18-11-19(16-30)13-20(12-18)17-30/h5-8,14,18-20,24H,9-13,15-17H2,1-4H3,(H,32,37)(H,33,35)(H,34,36)/t18?,19?,20?,24-,30?/m0/s1
    MOLECULAR FORMULA
    C30H40N4O4S
    CROSS REFERENCES
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    canSAR183626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.28
    AlogP 5.11
    HBond donors 3
    HBond acceptors 8
    Atoms 79
    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 canSAR183626.