canSAR1932008
FEATURES
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NAMES
    SMILES
    COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCCCC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O.Cl
    InChI
    InChI=1S/C28H34N2O7.ClH/c1-33-22-10-16(11-23(34-2)27(22)31)24-17-12-20-21(37-15-36-20)13-18(17)26(19-14-35-28(32)25(19)24)29-6-9-30-7-4-3-5-8-30;/h10-13,19,24-26,29,31H,3-9,14-15H2,1-2H3;1H/t19?,24-,25-,26+;/m0./s1
    MOLECULAR FORMULA
    C28H35ClN2O7
    CROSS REFERENCES
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    canSAR1932008
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight546.21
    AlogP3.61
    HBond donors2
    HBond acceptors9
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932008.