General Information of the Compound
| Compound ID |
CP0457395
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]pyrrolidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
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| Structure |
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| Formula |
C21H23ClN2O3S
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| Molecular Weight |
418.946
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| Canonical SMILES |
Cc1cc(ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H23ClN2O3S/c1-14-10-19(15-4-2-5-17(22)11-15)23-12-18(14)20-6-3-8-24(20)21(25)16-7-9-28(26,27)13-16/h2,4-5,10-12,16,20H,3,6-9,13H2,1H3
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| InChIKey |
PEUXWSARWNDXOQ-UHFFFAOYSA-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