General Information of the Compound
| Compound ID |
CP0545152
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| Compound Name |
(2S)-N-(2,5-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H23N3OS
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| Molecular Weight |
377.513
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| Canonical SMILES |
Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2nc(cs2)-c2ccccc2)c1
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| InChI |
InChI=1S/C22H23N3OS/c1-15-10-11-16(2)18(13-15)24-22(26)25-12-6-9-20(25)21-23-19(14-27-21)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3,(H,24,26)/t20-/m0/s1
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| InChIKey |
CLUTVXVGOIIWTN-FQEVSTJZSA-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