General Information of the Compound
| Compound ID |
CP0416933
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| Compound Name |
N-hexylbenzotriazole-1-carboxamide
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| Structure |
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| Formula |
C13H18N4O
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| Molecular Weight |
246.314
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| Canonical SMILES |
CCCCCCNC(=O)n1nnc2ccccc12
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| InChI |
InChI=1S/C13H18N4O/c1-2-3-4-7-10-14-13(18)17-12-9-6-5-8-11(12)15-16-17/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,18)
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| InChIKey |
CWNPCDDKESBHOG-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