canSAR1530243
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)CCCN(C)C)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O.Cl.Cl
    InChI
    InChI=1S/C29H38N2O7.2ClH/c1-30(2)8-6-9-31(3)10-7-18-19-13-22-23(38-16-37-22)14-20(19)26(27-21(18)15-36-29(27)33)17-11-24(34-4)28(32)25(12-17)35-5;;/h11-14,18,21,26-27,32H,6-10,15-16H2,1-5H3;2*1H/t18-,21?,26-,27+;;/m1../s1
    MOLECULAR FORMULA
    C29H40Cl2N2O7
    CROSS REFERENCES
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    canSAR1530243
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight598.22
    AlogP4.27
    HBond donors1
    HBond acceptors9
    Atoms80
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530243.