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canSAR1066608
FEATURES
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NAMES
    SMILES
    CCO[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](OC(=O)N[C@H]5CCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C37H60N2O7/c1-9-44-29(33(5,6)43)22-18-20(2)26-27(45-22)28(40)35(8)24-11-10-23-32(3,4)25(46-31(42)39-21-13-17-38-30(21)41)12-14-36(23)19-37(24,36)16-15-34(26,35)7/h20-29,40,43H,9-19H2,1-8H3,(H,38,41)(H,39,42)/t20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,34-,35-,36-,37+/m1/s1
    MOLECULAR FORMULA
    C37H60N2O7
    CROSS REFERENCES
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    canSAR1066608

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.44
    AlogP 4.96
    HBond donors 4
    HBond acceptors 9
    Atoms 106
    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 canSAR1066608.