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canSAR1122392
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NAMES
    SMILES
    CC(C)Sc1nnc(-c2c(CNc3nc4ccccc4[nH]3)c3ccccc3n2C)n1-c1ccccc1
    InChI
    InChI=1S/C28H27N7S/c1-18(2)36-28-33-32-26(35(28)19-11-5-4-6-12-19)25-21(20-13-7-10-16-24(20)34(25)3)17-29-27-30-22-14-8-9-15-23(22)31-27/h4-16,18H,17H2,1-3H3,(H2,29,30,31)
    MOLECULAR FORMULA
    C28H27N7S
    CROSS REFERENCES
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    canSAR1122392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.20
    AlogP 6.41
    HBond donors 2
    HBond acceptors 7
    Atoms 63
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1122392.