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canSAR1060348
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](OC(=O)NC6CN7CCC6CC7)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21
    InChI
    InChI=1S/C38H62N2O6/c1-21-18-24(30(41)34(4,5)44)45-29-28(21)35(6)14-15-38-20-37(38)13-10-27(46-32(43)39-23-19-40-16-11-22(23)12-17-40)33(2,3)25(37)8-9-26(38)36(35,7)31(29)42/h21-31,41-42,44H,8-20H2,1-7H3,(H,39,43)/t21-,23?,24-,25+,26+,27+,28+,29+,30+,31+,35-,36-,37-,38+/m1/s1
    MOLECULAR FORMULA
    C38H62N2O6
    CROSS REFERENCES
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    canSAR1060348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.46
    AlogP 5.12
    HBond donors 4
    HBond acceptors 8
    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 canSAR1060348.