General Information of the Compound
| Compound ID |
CP0532566
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| Compound Name |
N-(4-phenylbutyl)triazolo[4,5-b]pyridine-1-carboxamide
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| Structure |
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| Formula |
C16H17N5O
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| Molecular Weight |
295.346
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| Canonical SMILES |
O=C(NCCCCc1ccccc1)n1nnc2ncccc12
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| InChI |
InChI=1S/C16H17N5O/c22-16(21-14-10-6-12-17-15(14)19-20-21)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,18,22)
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| InChIKey |
OBGZSFAJXABWPH-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