canSAR1087455
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1
    InChI
    InChI=1S/C23H29N5OS/c1-23(2,3)15-5-7-16(8-6-15)27-11-4-12-28(14-13-27)17-9-10-26-22-18(17)19(24)20(30-22)21(25)29/h5-10H,4,11-14,24H2,1-3H3,(H2,25,29)
    MOLECULAR FORMULA
    C23H29N5OS
    CROSS REFERENCES
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    canSAR1087455
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight423.21
    AlogP3.99
    HBond donors4
    HBond acceptors6
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087455.