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canSAR1020949
FEATURES
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NAMES
    SMILES
    COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5C)c4[C@]2(CCN3C)CC1=O
    InChI
    InChI=1S/C27H31NO4/c1-17-7-5-6-8-19(17)16-32-26-23(30-3)10-9-18-13-21-20-14-24(31-4)22(29)15-27(20,25(18)26)11-12-28(21)2/h5-10,14,20-21H,11-13,15-16H2,1-4H3/t20-,21+,27-/m1/s1
    MOLECULAR FORMULA
    C27H31NO4
    CROSS REFERENCES
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    canSAR1020949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.23
    AlogP 4.20
    HBond donors 0
    HBond acceptors 5
    Atoms 63
    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 canSAR1020949.