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canSAR1091149
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NAMES
    SMILES
    C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](OC(=O)c1ccncc1)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12
    InChI
    InChI=1S/C32H35NO5/c1-29-12-8-24(34)32(4)23-7-13-30(2)21(20-11-16-36-17-20)5-6-22(30)31(23,3)27(25(26(29)32)37-18-29)38-28(35)19-9-14-33-15-10-19/h6,8-12,14-17,21,23,25-27H,5,7,13,18H2,1-4H3/t21-,23-,25+,26-,27+,29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C32H35NO5
    CROSS REFERENCES
    1091149 logo

    canSAR1091149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.25
    AlogP 5.92
    HBond donors 0
    HBond acceptors 6
    Atoms 73
    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 canSAR1091149.