General Information of the Compound
| Compound ID |
CP0265361
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-[hydroxy(dipyridin-2-yl)methyl]triazol-2-yl]methanone
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
OC(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccccn1)c1ccccn1
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| InChI |
InChI=1S/C26H26N6O2/c33-25(31-17-9-6-12-21(31)18-20-10-2-1-3-11-20)32-29-19-24(30-32)26(34,22-13-4-7-15-27-22)23-14-5-8-16-28-23/h1-5,7-8,10-11,13-16,19,21,34H,6,9,12,17-18H2
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| InChIKey |
CAEJQTAVACJJEB-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