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canSAR784510
FEATURES
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NAMES
    SMILES
    COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-n3ccc(C(C)C)n3)nc2c1C
    InChI
    InChI=1S/C38H48N6O7S/c1-22(2)30-15-17-44(41-30)33-20-32(27-13-14-31(50-5)23(3)34(27)39-33)51-25-18-28-29(19-25)36(46)43(4)16-9-7-6-8-10-24-21-38(24,40-35(28)45)37(47)42-52(48,49)26-11-12-26/h8,10,13-15,17,20,22,24-26,28-29H,6-7,9,11-12,16,18-19,21H2,1-5H3,(H,40,45)(H,42,47)/b10-8-/t24-,25-,28-,29-,38-/m1/s1
    MOLECULAR FORMULA
    C38H48N6O7S
    CROSS REFERENCES
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    canSAR784510

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 732.33
    AlogP 4.32
    HBond donors 2
    HBond acceptors 13
    Atoms 100
    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 canSAR784510.