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canSAR1207715
FEATURES
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NAMES
    SMILES
    C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(O[C@H]5CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)CC[C@@H]4[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C38H48O3/c1-4-38(40)20-17-34-32-10-6-24-22-26(8-12-28(24)30(32)16-19-37(34,38)3)41-35-14-13-33-31-9-5-23-21-25(39)7-11-27(23)29(31)15-18-36(33,35)2/h1,6-7,11,21-22,28-35,39-40H,5,8-10,12-20H2,2-3H3/t28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C38H48O3
    CROSS REFERENCES
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    canSAR1207715

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.36
    AlogP 8.06
    HBond donors 2
    HBond acceptors 3
    Atoms 89
    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 canSAR1207715.