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canSAR1130726
FEATURES
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NAMES
    SMILES
    COc1ccc(CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2nc3ccccc3s2)cc1
    InChI
    InChI=1S/C30H36N4O5S/c1-18(2)16-24(32-26(35)13-10-19-8-11-21(39-3)12-9-19)29(38)33-23(17-20-14-15-31-28(20)37)27(36)30-34-22-6-4-5-7-25(22)40-30/h4-9,11-12,18,20,23-24H,10,13-17H2,1-3H3,(H,31,37)(H,32,35)(H,33,38)/t20-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C30H36N4O5S
    CROSS REFERENCES
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    canSAR1130726

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.24
    AlogP 3.66
    HBond donors 3
    HBond acceptors 9
    Atoms 76
    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 canSAR1130726.