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canSAR1063724
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(C)=O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C38H61NO8/c1-21-18-24(32(34(6,7)43)45-23(3)41)46-30-29(21)35(8)14-15-38-20-37(38)13-12-27(47-28-19-39(22(2)40)16-17-44-28)33(4,5)25(37)10-11-26(38)36(35,9)31(30)42/h21,24-32,42-43H,10-20H2,1-9H3/t21-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35-,36-,37-,38+/m1/s1
    MOLECULAR FORMULA
    C38H61NO8
    CROSS REFERENCES
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    canSAR1063724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.44
    AlogP 5.09
    HBond donors 2
    HBond acceptors 9
    Atoms 108
    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 canSAR1063724.