General Information of the Compound
| Compound ID |
CP0520022
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| Compound Name |
(4R)-1-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H17ClF4N4O3S
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| Molecular Weight |
528.915
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| Canonical SMILES |
C[C@H]1CN(CC1C(O)=O)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C22H17ClF4N4O3S/c1-10-7-31(8-13(10)20(33)34)18-15(23)5-11(6-28-18)19(32)30-21-29-16(9-35-21)12-3-2-4-14(17(12)24)22(25,26)27/h2-6,9-10,13H,7-8H2,1H3,(H,33,34)(H,29,30,32)/t10-,13?/m0/s1
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| InChIKey |
NEJSXHIFKDWEBQ-NKUHCKNESA-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