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canSAR832679
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NAMES
    SMILES
    C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C
    InChI
    InChI=1S/C38H56O8/c1-20(2)21(3)13-14-22(4)28-16-17-29-27-15-18-31-36(9,10)34(45-25(7)41)30(43-23(5)39)19-37(31,11)32(27)33(44-24(6)40)35(38(28,29)12)46-26(8)42/h17,20,22,28,30-31,33-35H,3,13-16,18-19H2,1-2,4-12H3/t22-,28-,30-,31+,33-,34+,35+,37+,38-/m1/s1
    MOLECULAR FORMULA
    C38H56O8
    CROSS REFERENCES
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    canSAR832679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 640.40
    AlogP 7.45
    HBond donors 0
    HBond acceptors 8
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832679.