General Information of the Compound
| Compound ID |
CP0523822
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| Compound Name |
1-(5-(4-(3-bromo-4-fluorophenyl)-5-fluorothiazol-2-ylcarbamoyl)-3-chloropyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C21H16BrClF2N4O3S
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| Molecular Weight |
557.804
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(c(F)s1)-c1ccc(F)c(Br)c1
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| InChI |
InChI=1S/C21H16BrClF2N4O3S/c22-13-7-11(1-2-15(13)24)16-17(25)33-21(27-16)28-19(30)12-8-14(23)18(26-9-12)29-5-3-10(4-6-29)20(31)32/h1-2,7-10H,3-6H2,(H,31,32)(H,27,28,30)
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| InChIKey |
FEVMLUNBYAHEOI-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