canSAR418785
FEATURES
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NAMES
    SMILES
    COC1=CC([C@@H]2c3cc4c(cc3C(NC(=O)N(CCCl)N=O)[C@H]3COC(=O)[C@@H]32)OCO4)=CC(=O)C1=O
    InChI
    InChI=1S/C23H20ClN3O9/c1-33-17-5-10(4-14(28)21(17)29)18-11-6-15-16(36-9-35-15)7-12(11)20(13-8-34-22(30)19(13)18)25-23(31)27(26-32)3-2-24/h4-7,13,18-20H,2-3,8-9H2,1H3,(H,25,31)/t13-,18+,19-,20?/m0/s1
    MOLECULAR FORMULA
    C23H20ClN3O9
    CROSS REFERENCES
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    canSAR418785
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight517.09
    AlogP1.88
    HBond donors1
    HBond acceptors12
    Atoms56
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR418785.