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canSAR990943
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)c3ccc4[nH]cnc4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C47H75N5O15/c1-15-33-47(10,59)38(55)25(4)35(53)23(2)20-45(8,60-13)39(66-43-36(54)32(52(11)12)18-24(3)62-43)26(5)37(27(6)42(57)64-33)65-34-21-46(9,61-14)40(28(7)63-34)67-44(58)51-50-41(56)29-16-17-30-31(19-29)49-22-48-30/h16-17,19,22-28,32-34,36-40,43,54-55,59H,15,18,20-21H2,1-14H3,(H,48,49)(H,50,56)(H,51,58)/t23-,24-,25+,26+,27-,28+,32+,33-,34+,36-,37+,38-,39-,40+,43+,45-,46-,47-/m1/s1
    MOLECULAR FORMULA
    C47H75N5O15
    CROSS REFERENCES
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    canSAR990943

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 949.53
    AlogP 3.39
    HBond donors 6
    HBond acceptors 20
    Atoms 142
    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 canSAR990943.