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canSAR930501
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCOC(=O)NCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C38H54Cl2N2O4/c1-38-18-17-33-32-14-13-31(43)26-29(32)25-28(36(33)34(38)15-16-35(38)44)8-4-2-3-5-24-46-37(45)41-21-6-7-27-9-11-30(12-10-27)42(22-19-39)23-20-40/h9-14,26,28,33-36,43-44H,2-8,15-25H2,1H3,(H,41,45)/t28-,33-,34+,35+,36-,38+/m1/s1
    MOLECULAR FORMULA
    C38H54Cl2N2O4
    CROSS REFERENCES
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    canSAR930501

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.35
    AlogP 8.43
    HBond donors 3
    HBond acceptors 6
    Atoms 100
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR930501.