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canSAR832665
FEATURES
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NAMES
    SMILES
    NC(=O)C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)NC2CCCCC2)CSSC[C@H](C(N)=O)NC1=O
    InChI
    InChI=1S/C39H54N12O16S2/c40-29(54)11-22-36(62)48-24(33(41)59)16-68-69-17-25(49-39(65)44-19-4-2-1-3-5-19)37(63)46-23(12-32(57)58)35(61)42-13-30(55)45-21(8-18-6-7-28(53)26(9-18)51(66)67)34(60)43-14-31(56)50-15-20(52)10-27(50)38(64)47-22/h6-7,9,19-25,27,52-53H,1-5,8,10-17H2,(H2,40,54)(H2,41,59)(H,42,61)(H,43,60)(H,45,55)(H,46,63)(H,47,64)(H,48,62)(H,57,58)(H2,44,49,65)/t20-,21+,22+,23-,24-,25-,27+/m1/s1
    MOLECULAR FORMULA
    C39H54N12O16S2
    CROSS REFERENCES
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    canSAR832665

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1010.32
    AlogP -4.79
    HBond donors 15
    HBond acceptors 28
    Atoms 123
    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 canSAR832665.