General Information of the Compound
| Compound ID |
CP0180140
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| Compound Name |
2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydroxypropanoyl)pyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C21H20Cl3N3O2
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| Molecular Weight |
452.769
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| Canonical SMILES |
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/m0/s1
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| InChIKey |
CMZXSMVOPYKKIR-UGSOOPFHSA-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