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canSAR828126
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NAMES
    SMILES
    CN(C)CCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1
    InChI
    InChI=1S/C31H32ClN5O3S/c1-35(2)16-15-33-30(40)26-22(18-38)24-17-36-23(9-6-10-25(36)39)28(26)37(24)31-34-27(19-11-13-21(32)14-12-19)29(41-31)20-7-4-3-5-8-20/h3-14,22,24,26,28,38H,15-18H2,1-2H3,(H,33,40)/t22-,24-,26+,28+/m0/s1
    MOLECULAR FORMULA
    C31H32ClN5O3S
    CROSS REFERENCES
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    canSAR828126

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.19
    AlogP 4.14
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    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 canSAR828126.