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canSAR1265219
FEATURES
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NAMES
    SMILES
    CC1CN(c2nc(SCCc3ccc(NC(=O)C(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
    InChI
    InChI=1S/C30H40N4O3S/c1-19-16-34(17-20(2)37-19)26-25-18-36-30(6,7)14-23(25)24(15-31)27(33-26)38-13-12-21-8-10-22(11-9-21)32-28(35)29(3,4)5/h8-11,19-20H,12-14,16-18H2,1-7H3,(H,32,35)
    MOLECULAR FORMULA
    C30H40N4O3S
    CROSS REFERENCES
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    canSAR1265219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.28
    AlogP 5.74
    HBond donors 1
    HBond acceptors 7
    Atoms 78
    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 canSAR1265219.