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canSAR1271213
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)[C@H](O)[C@H]1O.CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CN(C)C4=O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/2C28H25Cl2N3O6/c1-32-9-13-17-12-6-4-8-15(30)22(12)33(28-25(36)24(35)26(38-2)16(10-34)39-28)23(17)21-18(19(13)27(32)37)11-5-3-7-14(29)20(11)31-21;1-32-9-13-17-11-5-3-7-14(29)20(11)31-21(17)23-18(19(13)27(32)37)12-6-4-8-15(30)22(12)33(23)28-25(36)24(35)26(38-2)16(10-34)39-28/h2*3-8,16,24-26,28,31,34-36H,9-10H2,1-2H3/t2*16-,24-,25-,26-,28-/m11/s1
    MOLECULAR FORMULA
    C56H50Cl4N6O12
    CROSS REFERENCES
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    canSAR1271213

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1138.22
    AlogP 7.90
    HBond donors 8
    HBond acceptors 18
    Atoms 128
    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 canSAR1271213.