General Information of the Compound
| Compound ID |
CP0422390
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| Compound Name |
1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H16F4N4O3S
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| Molecular Weight |
480.443
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| Canonical SMILES |
OC(=O)C1CCN(C1)c1ccc(cn1)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C21H16F4N4O3S/c22-17-13(2-1-3-14(17)21(23,24)25)15-10-33-20(27-15)28-18(30)11-4-5-16(26-8-11)29-7-6-12(9-29)19(31)32/h1-5,8,10,12H,6-7,9H2,(H,31,32)(H,27,28,30)
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| InChIKey |
QHDHUEIPKWBLKG-UHFFFAOYSA-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