General Information of the Compound
| Compound ID |
CP0383328
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C24H29N5OS
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| Molecular Weight |
435.597
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| Canonical SMILES |
Cc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1-c1ccc(C)cc1
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| InChI |
InChI=1S/C24H29N5OS/c1-18-8-10-22(11-9-18)29-19(2)26-27-24(29)31-17-23(30)25-21-12-14-28(15-13-21)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,25,30)
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| InChIKey |
WJABKWBLECVSTB-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