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canSAR1833164
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NAMES
    SMILES
    Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1
    InChI
    InChI=1S/C24H25N7OS/c1-13-25-17-9-10-33-19(17)22(26-13)28-21-16-12-31(24(2,3)20(16)29-30-21)23(32)27-18-11-15(18)14-7-5-4-6-8-14/h4-10,15,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1
    MOLECULAR FORMULA
    C24H25N7OS
    CROSS REFERENCES
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    canSAR1833164

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.18
    AlogP 4.78
    HBond donors 3
    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 canSAR1833164.