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canSAR829480
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@@H](N(C)C)[C@@H](C)O2)[C@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)/C(=N\OC(C)=O)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C43H63N3O11/c1-12-34-43(9,52)39(50)25(3)36(45-57-29(7)47)24(2)22-42(8,53-19-15-16-30-20-31-17-13-14-18-32(31)44-23-30)40(26(4)38(49)27(5)41(51)55-34)56-35-21-33(48)37(46(10)11)28(6)54-35/h13-18,20,23-28,33-35,37,39-40,48,50,52H,12,19,21-22H2,1-11H3/b16-15+,45-36+/t24-,25+,26+,27-,28-,33+,34-,35+,37+,39-,40-,42-,43-/m1/s1
    MOLECULAR FORMULA
    C43H63N3O11
    CROSS REFERENCES
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    canSAR829480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 797.45
    AlogP 4.70
    HBond donors 3
    HBond acceptors 14
    Atoms 120
    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 canSAR829480.