General Information of the Compound
| Compound ID |
CP0178682
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| Compound Name |
5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C20H17N7O
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| Molecular Weight |
371.404
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| Canonical SMILES |
C[C@@H](c1ccc2ncccc2c1)n1nnc2ccn(-c3cnn(C)c3)c(=O)c12
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| InChI |
InChI=1S/C20H17N7O/c1-13(14-5-6-17-15(10-14)4-3-8-21-17)27-19-18(23-24-27)7-9-26(20(19)28)16-11-22-25(2)12-16/h3-13H,1-2H3/t13-/m0/s1
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| InChIKey |
PEUAHYDTRUVITP-ZDUSSCGKSA-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