General Information of the Compound
| Compound ID |
CP0429896
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| Compound Name |
2-(3-chlorophenyl)-5-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
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| Structure |
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| Formula |
C20H21ClN2O2
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| Molecular Weight |
356.853
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| Canonical SMILES |
Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H21ClN2O2/c21-15-7-2-6-14(10-15)17-11-19(24)16(12-22-17)18-8-3-9-23(18)20(25)13-4-1-5-13/h2,6-7,10-13,18H,1,3-5,8-9H2,(H,22,24)
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| InChIKey |
HFXLKMDYPFMMCB-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