General Information of the Compound
| Compound ID |
CP0275372
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| Compound Name |
(S)-2-chloro-4-((2-chlorobenzyl)(1-(2-methoxyethyl)pyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C21H23Cl2N3O
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| Molecular Weight |
404.341
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| Canonical SMILES |
COCCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H23Cl2N3O/c1-27-11-10-25-9-8-19(15-25)26(14-17-4-2-3-5-20(17)22)18-7-6-16(13-24)21(23)12-18/h2-7,12,19H,8-11,14-15H2,1H3/t19-/m0/s1
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| InChIKey |
HHPQPMZEABBAEF-IBGZPJMESA-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