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canSAR832309
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NAMES
    SMILES
    C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)C(CC[C@H]2[C@](C)(/C=C/CC(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)C1[C@@H]3O
    InChI
    InChI=1S/C44H56N2O5/c1-22(2)35-38(50)33-32-25(28-21-40(3,4)51-41(5,6)34(28)37(32)49)20-26-27-19-23-12-15-29-42(7,17-10-11-31(48)45-24-13-14-24)30(47)16-18-43(29,8)44(23,9)39(27)46(35)36(26)33/h10,17,20-21,23-24,29-30,34-35,37,47,49H,1,11-16,18-19H2,2-9H3,(H,45,48)/b17-10+/t23?,29-,30-,34?,35-,37+,42-,43-,44+/m0/s1
    MOLECULAR FORMULA
    C44H56N2O5
    CROSS REFERENCES
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    canSAR832309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 692.42
    AlogP 7.82
    HBond donors 3
    HBond acceptors 7
    Atoms 107
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832309.