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canSAR1132378
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NAMES
    SMILES
    C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)Cc4ccccc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21
    InChI
    InChI=1S/C35H37NO5/c1-4-8-27-28-17-21(2)11-16-26(28)22(3)18-29(27)33(38)32-34(39)30(20-36-35(32)40)24-12-14-25(15-13-24)41-31(37)19-23-9-6-5-7-10-23/h4-10,12-15,18,20-21,26-29H,11,16-17,19H2,1-3H3,(H2,36,39,40)/b8-4+/t21-,26+,27+,28-,29+/m0/s1
    MOLECULAR FORMULA
    C35H37NO5
    CROSS REFERENCES
    1132378 logo

    canSAR1132378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.27
    AlogP 6.90
    HBond donors 2
    HBond acceptors 6
    Atoms 78
    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 canSAR1132378.