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canSAR1123200
FEATURES
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NAMES
    SMILES
    CSc1nnc(NC(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)s1
    InChI
    InChI=1S/C31H34N6O6S3/c1-19(21-13-9-6-10-14-21)32-27(39)22-16-23(18-24(17-22)37(2)46(4,42)43)28(40)33-25(15-20-11-7-5-8-12-20)26(38)29(41)34-30-35-36-31(44-3)45-30/h5-14,16-19,25-26,38H,15H2,1-4H3,(H,32,39)(H,33,40)(H,34,35,41)/t19-,25+,26-/m1/s1
    MOLECULAR FORMULA
    C31H34N6O6S3
    CROSS REFERENCES
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    canSAR1123200

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 682.17
    AlogP 3.49
    HBond donors 4
    HBond acceptors 12
    Atoms 80
    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 canSAR1123200.