General Information of the Compound
| Compound ID |
CP0494546
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| Compound Name |
[2-[6-(3-chlorophenyl)pyridin-3-yl]pyrrolidin-1-yl]-cyclobutylmethanone
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| Structure |
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| Formula |
C20H21ClN2O
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| Molecular Weight |
340.854
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)C1CCC1
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| InChI |
InChI=1S/C20H21ClN2O/c21-17-7-2-6-15(12-17)18-10-9-16(13-22-18)19-8-3-11-23(19)20(24)14-4-1-5-14/h2,6-7,9-10,12-14,19H,1,3-5,8,11H2
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| InChIKey |
PQDMOMITSWRZAF-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