canSAR2080072
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)c(OC)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C38H54O4/c1-23(2)25-13-18-38(22-39)20-19-36(6)28(32(25)38)11-12-31-35(5)16-14-27(34(3,4)30(35)15-17-37(31,36)7)24-9-10-26(33(40)41)29(21-24)42-8/h9-10,14,21,25,28,30-32,39H,1,11-13,15-20,22H2,2-8H3,(H,40,41)/t25-,28+,30-,31+,32+,35-,36+,37+,38+/m0/s1
    MOLECULAR FORMULA
    C38H54O4
    CROSS REFERENCES
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    canSAR2080072
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight574.40
    AlogP9.04
    HBond donors2
    HBond acceptors4
    Atoms96
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080072.