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canSAR656173
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O
    InChI
    InChI=1S/C35H55N9O8S2/c1-20(2)16-25(32(47)43-26(34(49)50)17-21(3)4)42-31(46)24(12-9-15-38-35(36)37)41-33(48)27(19-53)40-30(45)18-39-54(51,52)29-14-8-10-22-23(29)11-7-13-28(22)44(5)6/h7-8,10-11,13-14,20-21,24-27,39,53H,9,12,15-19H2,1-6H3,(H,40,45)(H,41,48)(H,42,46)(H,43,47)(H,49,50)(H4,36,37,38)/t24-,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C35H55N9O8S2
    CROSS REFERENCES
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    canSAR656173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 793.36
    AlogP 0.49
    HBond donors 10
    HBond acceptors 17
    Atoms 109
    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 canSAR656173.