General Information of the Compound
| Compound ID |
CP0180142
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| Compound Name |
2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrrolidin-3-yl)(2-methylbenzyl)amino)benzonitrile
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| Structure |
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| Formula |
C22H24ClN3O2
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| Molecular Weight |
397.906
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| Canonical SMILES |
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H24ClN3O2/c1-15-5-3-4-6-18(15)13-26(19-8-7-17(12-24)21(23)11-19)20-9-10-25(14-20)22(28)16(2)27/h3-8,11,16,20,27H,9-10,13-14H2,1-2H3/t16-,20-/m0/s1
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| InChIKey |
WEGADTMKEWZTLK-JXFKEZNVSA-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