General Information of the Compound
| Compound ID |
CP0461649
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| Compound Name |
5-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
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| Structure |
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| Formula |
C13H11Cl2N5S
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| Molecular Weight |
340.239
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| Canonical SMILES |
Cc1nc(C)c(Cn2nnnc2-c2cccc(Cl)c2Cl)s1
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| InChI |
InChI=1S/C13H11Cl2N5S/c1-7-11(21-8(2)16-7)6-20-13(17-18-19-20)9-4-3-5-10(14)12(9)15/h3-5H,6H2,1-2H3
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| InChIKey |
QSKIVJZHDLOXDZ-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7