General Information of the Compound
| Compound ID |
CP0198639
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| Compound Name |
2-(azepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C14H18N4O
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| Molecular Weight |
258.325
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| Canonical SMILES |
NC(=O)c1cccc2nc([nH]c12)C1CCCNCC1
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| InChI |
InChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)
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| InChIKey |
GHOYFPNFUYWZAZ-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