General Information of the Compound
| Compound ID |
CP0395181
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| Compound Name |
N-cyclopentyl-6-(2-pyridin-3-ylethynyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C18H17N3O
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| Molecular Weight |
291.354
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| Canonical SMILES |
O=C(NC1CCCC1)c1ccc(nc1)C#Cc1cccnc1
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| InChI |
InChI=1S/C18H17N3O/c22-18(21-17-5-1-2-6-17)15-8-10-16(20-13-15)9-7-14-4-3-11-19-12-14/h3-4,8,10-13,17H,1-2,5-6H2,(H,21,22)
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| InChIKey |
YYCJVMDCFGFZEP-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