General Information of the Compound
| Compound ID |
CP0501529
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C14H10Cl2FN5
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| Molecular Weight |
338.173
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| Canonical SMILES |
Fc1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C14H10Cl2FN5/c15-11-2-1-3-12(13(11)16)22-14(19-20-21-22)18-8-9-4-6-10(17)7-5-9/h1-7H,8H2,(H,18,19,21)
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| InChIKey |
OTRYJZQGVAJPBY-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