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canSAR657085
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O
    InChI
    InChI=1S/C30H43N7O9S2/c1-17(2)13-21(30(43)44)36-29(42)20(11-12-25(31)38)34-26(39)14-32-28(41)22(16-47)35-27(40)15-33-48(45,46)24-10-6-7-18-19(24)8-5-9-23(18)37(3)4/h5-10,17,20-22,33,47H,11-16H2,1-4H3,(H2,31,38)(H,32,41)(H,34,39)(H,35,40)(H,36,42)(H,43,44)/t20-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C30H43N7O9S2
    CROSS REFERENCES
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    canSAR657085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 709.26
    AlogP -0.92
    HBond donors 8
    HBond acceptors 16
    Atoms 91
    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 canSAR657085.