General Information of the Compound
| Compound ID |
CP0471040
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| Compound Name |
1-(3-chloro-5-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C21H16ClF4N5O3S
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| Molecular Weight |
529.903
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(ns1)-c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16ClF4N5O3S/c22-14-8-12(9-27-17(14)31-5-3-10(4-6-31)19(33)34)18(32)29-20-28-16(30-35-20)11-1-2-15(23)13(7-11)21(24,25)26/h1-2,7-10H,3-6H2,(H,33,34)(H,28,29,30,32)
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| InChIKey |
MRIDPPRWELMJNF-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