General Information of the Compound
| Compound ID |
CP0391019
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| Compound Name |
1-(4-benzylpiperazin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
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| Structure |
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| Formula |
C21H24N6OS
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| Molecular Weight |
408.531
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| Canonical SMILES |
Cc1ccccc1-n1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H24N6OS/c1-17-7-5-6-10-19(17)27-21(22-23-24-27)29-16-20(28)26-13-11-25(12-14-26)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
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| InChIKey |
UHTFXBGCVLAXPN-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