General Information of the Compound
| Compound ID |
CP0578811
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| Compound Name |
(2S)-2-(5-phenyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C21H18F3N3OS
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| Molecular Weight |
417.456
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1
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| InChI |
InChI=1S/C21H18F3N3OS/c22-21(23,24)15-8-4-9-16(12-15)26-20(28)27-11-5-10-17(27)19-25-13-18(29-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,17H,5,10-11H2,(H,26,28)/t17-/m0/s1
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| InChIKey |
GYYCYKIEMSNYPU-KRWDZBQOSA-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