canSAR1632220
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)C(NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
    InChI
    InChI=1S/C46H73N7O7S/c1-6-33-27-46(33,42(58)50-61(59,60)51-24-14-15-25-51)49-39(55)35-28-45(43(4,5)44(45)22-16-23-44)29-53(35)41(57)37(32-19-10-11-20-32)48-40(56)36(31-17-8-7-9-18-31)47-38(54)34-21-12-13-26-52(34)30(2)3/h6,30-37H,1,7-29H2,2-5H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t33-,34+,35+,36?,37?,45-,46-/m1/s1
    MOLECULAR FORMULA
    C46H73N7O7S
    CROSS REFERENCES
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    canSAR1632220
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight867.53
    AlogP4.30
    HBond donors4
    HBond acceptors14
    Atoms134
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632220.