General Information of the Compound
| Compound ID |
CP0881183
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| Compound Name |
1-benzyl-N-(5-(4-(2,3-dichlorophenyl)piperazin-1-yl)pentyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
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| Structure |
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| Formula |
C26H32Cl2N6O
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| Molecular Weight |
515.489
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| Canonical SMILES |
Cc1c(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1
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| InChI |
InChI=1S/C26H32Cl2N6O/c1-20-25(30-31-34(20)19-21-9-4-2-5-10-21)26(35)29-13-6-3-7-14-32-15-17-33(18-16-32)23-12-8-11-22(27)24(23)28/h2,4-5,8-12H,3,6-7,13-19H2,1H3,(H,29,35)
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| InChIKey |
FYHDUYJHKIWKCX-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
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor