General Information of the Compound
| Compound ID |
CP0180138
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| Compound Name |
(S)-methyl 3-((3-chloro-4-cyanophenyl)(2-methylbenzyl)amino)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClN3O2/c1-15-5-3-4-6-17(15)13-25(18-8-7-16(12-23)20(22)11-18)19-9-10-24(14-19)21(26)27-2/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
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| InChIKey |
WIJJCLHTLMPDEH-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