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canSAR783801
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(NC)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C36H53N7O5S/c1-7-34(4)18-25(35(5)21(2)8-13-36(22(3)30(34)47)14-9-24(44)29(35)36)48-27(46)19-49-23-10-15-42(16-11-23)26(45)12-17-43-20-39-28-31(38-6)40-33(37)41-32(28)43/h7,20-23,25,29-30,47H,1,8-19H2,2-6H3,(H3,37,38,40,41)/t21-,22+,25-,29-,30+,34-,35+,36+/m1/s1
    MOLECULAR FORMULA
    C36H53N7O5S
    CROSS REFERENCES
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    canSAR783801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 695.38
    AlogP 4.47
    HBond donors 4
    HBond acceptors 12
    Atoms 102
    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 canSAR783801.