General Information of the Compound
| Compound ID |
CP0476352
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C28H28N8S
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| Molecular Weight |
508.655
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H28N8S/c1-20-6-5-9-25(31-20)27-24(22-10-11-26-29-19-30-35(26)17-22)18-36(33-27)28(37)32-23-12-14-34(15-13-23)16-21-7-3-2-4-8-21/h2-11,17-19,23H,12-16H2,1H3,(H,32,37)
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| InChIKey |
BNMHNCULQLQPPL-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