General Information of the Compound
| Compound ID |
CP0322347
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| Compound Name |
(S)-2-chloro-4-((2-methylbenzyl)(5-oxo-1-propylpyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C22H24ClN3O
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| Molecular Weight |
381.907
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| Canonical SMILES |
CCCN1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H24ClN3O/c1-3-10-25-15-20(12-22(25)27)26(14-18-7-5-4-6-16(18)2)19-9-8-17(13-24)21(23)11-19/h4-9,11,20H,3,10,12,14-15H2,1-2H3/t20-/m0/s1
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| InChIKey |
ZKPIKUSURATZLK-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