General Information of the Compound
| Compound ID |
CP0468834
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| Compound Name |
[2-[6-(3-chlorophenyl)pyridin-3-yl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C19H16ClN3OS
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| Molecular Weight |
369.877
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1nccs1
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| InChI |
InChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(11-15)16-7-6-14(12-22-16)17-5-2-9-23(17)19(24)18-21-8-10-25-18/h1,3-4,6-8,10-12,17H,2,5,9H2
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| InChIKey |
ZDRLSVCSTYWGGZ-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