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canSAR828223
FEATURES
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NAMES
    SMILES
    CSC(C)(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c(Cl)[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O
    InChI
    InChI=1S/C32H43ClN6O7S/c1-16(2)13-20-27(42)35-21(14-18-17-9-6-7-10-19(17)34-26(18)33)28(43)37-22(15-24(40)41)31(46)39-12-8-11-23(39)29(44)38-25(30(45)36-20)32(3,4)47-5/h6-7,9-10,16,20-23,25,34H,8,11-15H2,1-5H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t20-,21+,22-,23?,25-/m1/s1
    MOLECULAR FORMULA
    C32H43ClN6O7S
    CROSS REFERENCES
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    canSAR828223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 690.26
    AlogP 1.97
    HBond donors 6
    HBond acceptors 13
    Atoms 90
    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 canSAR828223.