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canSAR1130816
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CCCCCOc3ccc5nc(C)n(-c6ccc([N+](=O)[O-])cc6)c(=O)c5c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C43H42N4O12/c1-23-44-32-14-13-27(18-30(32)42(49)46(23)25-9-11-26(12-10-25)47(51)52)56-15-7-5-6-8-37(48)45-40-29-20-34-33(58-22-59-34)19-28(29)38(39-31(40)21-57-43(39)50)24-16-35(53-2)41(55-4)36(17-24)54-3/h9-14,16-20,31,38-40H,5-8,15,21-22H2,1-4H3,(H,45,48)/t31-,38+,39-,40+/m0/s1
    MOLECULAR FORMULA
    C43H42N4O12
    CROSS REFERENCES
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    canSAR1130816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 806.28
    AlogP 6.09
    HBond donors 1
    HBond acceptors 16
    Atoms 101
    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 canSAR1130816.