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canSAR1094746
FEATURES
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NAMES
    SMILES
    CCC1(CC)C[C@@H](C(=O)NCc2ccc3c(N)nccc3c2)n2c1c(Cl)nc(NC1CCC1)c2=O
    InChI
    InChI=1S/C26H31ClN6O2/c1-3-26(4-2)13-19(33-20(26)21(27)32-23(25(33)35)31-17-6-5-7-17)24(34)30-14-15-8-9-18-16(12-15)10-11-29-22(18)28/h8-12,17,19H,3-7,13-14H2,1-2H3,(H2,28,29)(H,30,34)(H,31,32)/t19-/m0/s1
    MOLECULAR FORMULA
    C26H31ClN6O2
    CROSS REFERENCES
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    canSAR1094746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.22
    AlogP 4.31
    HBond donors 4
    HBond acceptors 8
    Atoms 66
    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 canSAR1094746.