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canSAR1015775
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OCC#Cc2cncnc2)[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(=N\OCc2ccccc2Cl)[C@H](C)[C@H]2OC(=O)O[C@]12C
    InChI
    InChI=1S/C45H63ClN4O11/c1-12-35-45(8)40(60-43(53)61-45)28(4)36(49-56-24-32-17-13-14-18-33(32)46)26(2)21-44(7,54-11)39(59-42-37(51)34(50(9)10)20-27(3)57-42)29(5)38(30(6)41(52)58-35)55-19-15-16-31-22-47-25-48-23-31/h13-14,17-18,22-23,25-30,34-35,37-40,42,51H,12,19-21,24H2,1-11H3/b49-36+/t26-,27-,28+,29+,30-,34+,35-,37-,38+,39-,40-,42+,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H63ClN4O11
    CROSS REFERENCES
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    canSAR1015775

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 870.42
    AlogP 6.22
    HBond donors 1
    HBond acceptors 15
    Atoms 124
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015775.