General Information of the Compound
| Compound ID |
CP0468828
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| Compound Name |
[2-[6-(3-chlorophenyl)pyridin-3-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
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| Structure |
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| Formula |
C20H17ClN2OS
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| Molecular Weight |
368.889
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cccs1
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| InChI |
InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2
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| InChIKey |
ILFNJXKQDRVMOX-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