General Information of the Compound
| Compound ID |
CP0180141
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| Compound Name |
(S)-methyl 3-((3-chloro-4-cyanophenyl)(2,3-difluorobenzyl)amino)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C20H18ClF2N3O2
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| Molecular Weight |
405.832
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| Canonical SMILES |
COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H18ClF2N3O2/c1-28-20(27)25-8-7-16(12-25)26(11-14-3-2-4-18(22)19(14)23)15-6-5-13(10-24)17(21)9-15/h2-6,9,16H,7-8,11-12H2,1H3/t16-/m0/s1
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| InChIKey |
FKSOCJRHXHEXDT-INIZCTEOSA-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