canSAR389312
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(=O)NCCc1scnc1C
    InChI
    InChI=1S/C37H62N6O6S2/c1-6-22(4)31(36(48)38-17-16-27-23(5)39-20-51-27)42-35(47)30(21(2)3)34(46)33(45)25(18-24-12-8-7-9-13-24)40-29(44)15-11-10-14-28-32-26(19-50-28)41-37(49)43-32/h20-22,24-26,28,30-34,45-46H,6-19H2,1-5H3,(H,38,48)(H,40,44)(H,42,47)(H2,41,43,49)/t22?,25-,26?,28-,30+,31-,32?,33+,34+/m0/s1
    MOLECULAR FORMULA
    C37H62N6O6S2
    CROSS REFERENCES
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    canSAR389312
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight750.42
    AlogP3.82
    HBond donors7
    HBond acceptors12
    Atoms113
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR389312.