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canSAR1646691
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NAMES
    SMILES
    CC(O)C1(O)C(O)CC(OC2c3cc4c(c(O)c3[C@@H]3C[C@@]2(C)OC32C=c3cc[nH]c3=N2)C(=O)c2cccc(O)c2C4=O)OC1C.Cl
    InChI
    InChI=1S/C33H32N2O10.ClH/c1-13(36)33(42)14(2)43-22(10-21(33)38)44-29-18-9-17-25(26(39)16-5-4-6-20(37)24(16)27(17)40)28(41)23(18)19-12-31(29,3)45-32(19)11-15-7-8-34-30(15)35-32;/h4-9,11,13-14,19,21-22,29,36-38,41-42H,10,12H2,1-3H3,(H,34,35);1H/t13?,14?,19-,21?,22?,29?,31+,32?,33?;/m0./s1
    MOLECULAR FORMULA
    C33H33ClN2O10
    CROSS REFERENCES
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    canSAR1646691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 652.18
    AlogP 1.37
    HBond donors 6
    HBond acceptors 12
    Atoms 79
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1646691.