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canSAR1023852
FEATURES
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NAMES
    SMILES
    CO[C@@H]1C(=O)N(CCCn2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1c1ccc(C(C)C)cc1
    InChI
    InChI=1S/C28H32N6O2/c1-19(2)21-10-12-22(13-11-21)24-25(36-3)28(35)34(24)15-7-14-33-18-32-23-26(30-17-31-27(23)33)29-16-20-8-5-4-6-9-20/h4-6,8-13,17-19,24-25H,7,14-16H2,1-3H3,(H,29,30,31)/t24-,25+/m1/s1
    MOLECULAR FORMULA
    C28H32N6O2
    CROSS REFERENCES
    1023852 logo

    canSAR1023852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.26
    AlogP 4.55
    HBond donors 1
    HBond acceptors 8
    Atoms 68
    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 canSAR1023852.