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canSAR829469
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NAMES
    SMILES
    CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1
    InChI
    InChI=1S/C32H47N5O4S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(40,41)36-28(15-22-10-8-11-23(14-22)30(33)34)32(39)37-13-9-12-24(18-37)31(38)35-7/h8,10-11,14,16-17,19-21,24,28,36H,9,12-13,15,18H2,1-7H3,(H3,33,34)(H,35,38)/t24-,28-/m0/s1
    MOLECULAR FORMULA
    C32H47N5O4S
    CROSS REFERENCES
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    canSAR829469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.33
    AlogP 4.22
    HBond donors 5
    HBond acceptors 9
    Atoms 89
    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 canSAR829469.