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canSAR1018522
FEATURES
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NAMES
    SMILES
    CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(C)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C
    InChI
    InChI=1S/C38H50O8/c1-23(2)25(4)20-33(41)46-31-22-30-34(6)16-15-29(45-32(40)13-12-27-10-8-24(3)9-11-27)21-28(34)14-17-37(30,43)38(44)19-18-36(42,26(5)39)35(31,38)7/h8-14,20,23,29-31,42-44H,15-19,21-22H2,1-7H3/b13-12+,25-20+/t29-,30+,31+,34-,35+,36+,37-,38+/m0/s1
    MOLECULAR FORMULA
    C38H50O8
    CROSS REFERENCES
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    canSAR1018522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 634.35
    AlogP 5.56
    HBond donors 3
    HBond acceptors 8
    Atoms 96
    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 canSAR1018522.