General Information of the Compound
| Compound ID |
CP0579096
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| Compound Name |
(2S)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C21H20FN3O2S
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| Molecular Weight |
397.475
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| Canonical SMILES |
COc1ccccc1NC(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20FN3O2S/c1-27-19-7-3-2-5-16(19)24-21(26)25-12-4-6-18(25)20-23-17(13-28-20)14-8-10-15(22)11-9-14/h2-3,5,7-11,13,18H,4,6,12H2,1H3,(H,24,26)/t18-/m0/s1
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| InChIKey |
VNOLKAWELVICHM-SFHVURJKSA-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