General Information of the Compound
| Compound ID |
CP0388948
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| Compound Name |
N-quinolin-3-yl-2H-triazole-4-carboxamide
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| Structure |
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| Formula |
C12H9N5O
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| Molecular Weight |
239.238
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| Canonical SMILES |
O=C(Nc1cnc2ccccc2c1)c1cn[nH]n1
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| InChI |
InChI=1S/C12H9N5O/c18-12(11-7-14-17-16-11)15-9-5-8-3-1-2-4-10(8)13-6-9/h1-7H,(H,15,18)(H,14,16,17)
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| InChIKey |
PWNCSLAWOZKBHQ-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