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canSAR1095112
FEATURES
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NAMES
    SMILES
    CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3ncccn3)c2c1=O
    InChI
    InChI=1S/C20H23N7O/c1-2-3-11-27-19(28)18-16(24-20(27)26-10-4-6-15(21)13-26)7-12-25(18)14-17-22-8-5-9-23-17/h5,7-9,12,15H,4,6,10-11,13-14,21H2,1H3/t15-/m1/s1
    MOLECULAR FORMULA
    C20H23N7O
    CROSS REFERENCES
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    canSAR1095112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.20
    AlogP 0.99
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    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 canSAR1095112.