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canSAR46309
FEATURES
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NAMES
    SMILES
    C=C1C[C@@]23O[C@]2(c2ccccc21)C1CC(OC(=O)[C@H](O)[C@@H](NC(=O)CCC)c2ccccc2)C3(C)C1(C)C
    InChI
    InChI=1S/C32H37NO5/c1-6-12-25(34)33-26(20-13-8-7-9-14-20)27(35)28(36)37-24-17-23-29(3,4)30(24,5)31-18-19(2)21-15-10-11-16-22(21)32(23,31)38-31/h7-11,13-16,23-24,26-27,35H,2,6,12,17-18H2,1,3-5H3,(H,33,34)/t23?,24?,26-,27+,30?,31-,32+/m0/s1
    MOLECULAR FORMULA
    C32H37NO5
    CROSS REFERENCES
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    canSAR46309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.27
    AlogP 5.06
    HBond donors 2
    HBond acceptors 6
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR46309.