canSAR736703
FEATURES
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NAMES
    SMILES
    CC(C)C(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1
    InChI
    InChI=1S/C26H31ClN6O3S/c1-14(2)26(36)33-9-7-18(29-23(34)20-11-15-10-16(27)4-5-17(15)28-20)21(12-33)30-24(35)25-31-19-6-8-32(3)13-22(19)37-25/h4-5,10-11,14,18,21,28H,6-9,12-13H2,1-3H3,(H,29,34)(H,30,35)
    MOLECULAR FORMULA
    C26H31ClN6O3S
    CROSS REFERENCES
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    canSAR736703
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.19
    AlogP3.05
    HBond donors3
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736703.