General Information of the Compound
| Compound ID |
CP0446706
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| Compound Name |
(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-2-yl]methanone
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
CCC1CCCCN1C(=O)n1ncc(n1)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H24N4O/c1-2-20-10-6-7-15-25(20)22(27)26-23-16-21(24-26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-5,8-9,11-14,16,20H,2,6-7,10,15H2,1H3
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| InChIKey |
BZQAMWCNBVODHQ-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