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canSAR1064859
FEATURES
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NAMES
    SMILES
    CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2cc(C)c(=O)n(CC(=O)O)c2=O)C(C)C)C(C)C)cc1
    InChI
    InChI=1S/C37H48N5O10PS2/c1-22(2)32(38-30(43)20-40-19-24(5)35(47)42(37(40)49)21-31(44)45)36(48)41-18-8-9-29(41)33(46)39-34(23(3)4)53(50,51-25-10-14-27(54-6)15-11-25)52-26-12-16-28(55-7)17-13-26/h10-17,19,22-23,29,32,34H,8-9,18,20-21H2,1-7H3,(H,38,43)(H,39,46)(H,44,45)/t29-,32-,34?/m0/s1
    MOLECULAR FORMULA
    C37H48N5O10PS2
    CROSS REFERENCES
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    canSAR1064859

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 817.26
    AlogP 4.43
    HBond donors 3
    HBond acceptors 15
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1064859.