General Information of the Compound
| Compound ID |
CP0192248
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| Compound Name |
(S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C21H19ClF3N3O
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| Molecular Weight |
421.85
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| Canonical SMILES |
CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1
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| InChIKey |
JRMYTEMFHGPYNN-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