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canSAR1067425
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H](OC(=O)N1CCC1)[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](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C
    InChI
    InChI=1S/C38H61N3O6/c1-21(2)29(47-33(44)41-15-8-16-41)24-17-22(3)28-30(45-24)31(42)36(7)26-10-9-25-34(4,5)27(46-32(43)40-23-18-39-19-23)11-12-37(25)20-38(26,37)14-13-35(28,36)6/h21-31,39,42H,8-20H2,1-7H3,(H,40,43)/t22-,24-,25+,26+,27+,28+,29-,30+,31+,35-,36-,37-,38+/m1/s1
    MOLECULAR FORMULA
    C38H61N3O6
    CROSS REFERENCES
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    canSAR1067425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 655.46
    AlogP 5.73
    HBond donors 3
    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 canSAR1067425.