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canSAR1151803
FEATURES
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NAMES
    SMILES
    CN1C(=O)[C@@]2(c3ccccc31)N1CSCC1[C@H](c1ncc[nH]1)[C@@]2(C#N)C(=O)c1c[nH]c2ccccc12
    InChI
    InChI=1S/C27H22N6O2S/c1-32-20-9-5-3-7-18(20)27(25(32)35)26(14-28,23(34)17-12-31-19-8-4-2-6-16(17)19)22(24-29-10-11-30-24)21-13-36-15-33(21)27/h2-12,21-22,31H,13,15H2,1H3,(H,29,30)/t21?,22-,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H22N6O2S
    CROSS REFERENCES
    1151803 logo

    canSAR1151803

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.15
    AlogP 3.63
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    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 canSAR1151803.