General Information of the Compound
| Compound ID |
CP0577191
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| Compound Name |
4-[(2-amino-3-methylquinolin-7-yl)methyl]-N,1-dimethyl-5-oxo-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C21H21N7O2
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| Molecular Weight |
403.446
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| Canonical SMILES |
CN(C(=O)c1nn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccn1
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| InChI |
InChI=1S/C21H21N7O2/c1-13-10-15-8-7-14(11-16(15)24-18(13)22)12-28-19(25-27(3)21(28)30)20(29)26(2)17-6-4-5-9-23-17/h4-11H,12H2,1-3H3,(H2,22,24)
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| InChIKey |
NBMIYYUBFUEGEM-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