General Information of the Compound
| Compound ID |
CP0941501
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-2-(2-(dimethylamino)ethoxy)-5-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol trifluoroacetic acid salt
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| Structure |
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| Formula |
C26H30ClF3N2O9S
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| Molecular Weight |
639.045
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| Canonical SMILES |
CN(C)CCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29ClN2O7S.C2HF3O2/c1-27(2)5-7-33-17-10-15(25)13(9-20-26-11-19(35-20)16-4-3-6-32-16)8-14(17)24-23(31)22(30)21(29)18(12-28)34-24;3-2(4,5)1(6)7/h3-4,6,8,10-11,18,21-24,28-31H,5,7,9,12H2,1-2H3;(H,6,7)/t18-,21-,22+,23-,24+;/m1./s1
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| InChIKey |
OOCMADCHZJSIBP-CVFFYCJBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound