canSAR171234
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(/C)C(=O)N3)O6)CC2)cc1
    InChI
    InChI=1S/C49H60N4O12S/c1-24-12-11-13-25(2)47(60)50-38-42(58)35-34(37-45(38)66-48(51-37)53-21-19-52(20-22-53)31-14-16-32(61-9)17-15-31)36-44(29(6)41(35)57)65-49(8,46(36)59)63-23-18-33(62-10)26(3)43(64-30(7)54)28(5)40(56)27(4)39(24)55/h11-18,23-24,26-28,33,39-40,43,55-58H,19-22H2,1-10H3,(H,50,60)/b12-11+,23-18+,25-13-
    MOLECULAR FORMULA
    C49H60N4O12S
    CROSS REFERENCES
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    canSAR171234
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight928.39
    AlogP6.99
    HBond donors5
    HBond acceptors16
    Atoms126
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR171234.