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canSAR1014486
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NAMES
    SMILES
    O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)c1cccnc1
    InChI
    InChI=1S/C27H27ClN6O2/c28-22-8-6-19(7-9-22)25(21-4-3-13-29-18-21)31-24(35)12-17-34-15-10-20(11-16-34)27-32-26(33-36-27)23-5-1-2-14-30-23/h1-9,13-14,18,20,25H,10-12,15-17H2,(H,31,35)
    MOLECULAR FORMULA
    C27H27ClN6O2
    CROSS REFERENCES
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    canSAR1014486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.19
    AlogP 4.66
    HBond donors 1
    HBond acceptors 8
    Atoms 63
    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 canSAR1014486.