General Information of the Compound
| Compound ID |
CP0956044
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| Compound Name |
N-((4-chlorophenyl)(cyclopropyl)methyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C18H17ClN4O2
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| Molecular Weight |
356.813
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| Canonical SMILES |
O=C(Cn1nc2ccccn2c1=O)NC(c1ccc(Cl)cc1)C1CC1
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| InChI |
InChI=1S/C18H17ClN4O2/c19-14-8-6-13(7-9-14)17(12-4-5-12)20-16(24)11-23-18(25)22-10-2-1-3-15(22)21-23/h1-3,6-10,12,17H,4-5,11H2,(H,20,24)
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| InChIKey |
OJIPWBKONOQOAZ-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