canSAR938211
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OC)C[C@H](OC)[C@@H](NCCC(c1ccccc1)c1ccccc1)C2.O=C(O)C(=O)O
    InChI
    InChI=1S/C28H33NO3.C2H2O4/c1-30-26-17-23-19-28(32-3)27(31-2)18-22(23)16-25(26)29-15-14-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;3-1(4)2(5)6/h4-13,18-19,24-26,29H,14-17H2,1-3H3;(H,3,4)(H,5,6)/t25-,26-;/m0./s1
    MOLECULAR FORMULA
    C30H35NO7
    CROSS REFERENCES
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    canSAR938211
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.24
    AlogP4.15
    HBond donors3
    HBond acceptors8
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR938211.