General Information of the Compound
| Compound ID |
CP0144191
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| Compound Name |
(S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propionylpyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C22H23ClFN3O
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| Molecular Weight |
399.897
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H23ClFN3O/c1-3-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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| InChIKey |
MLRFDIZASVKYGN-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