canSAR1084145
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)NCCCC(=O)NCCCCNC(=O)CCS(=O)(=O)c1nnnn1CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
    InChI
    InChI=1S/C32H56N10O8S2/c1-32(2,3)50-31(47)36-19-11-14-26(44)34-17-8-9-18-35-27(45)15-21-52(48,49)30-39-40-41-42(30)20-10-4-7-16-33-25(43)13-6-5-12-24-28-23(22-51-24)37-29(46)38-28/h23-24,28H,4-22H2,1-3H3,(H,33,43)(H,34,44)(H,35,45)(H,36,47)(H2,37,38,46)/t23-,24-,28-/m0/s1
    MOLECULAR FORMULA
    C32H56N10O8S2
    CROSS REFERENCES
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    canSAR1084145
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight772.37
    AlogP1.17
    HBond donors6
    HBond acceptors18
    Atoms108
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084145.