General Information of the Compound
| Compound ID |
CP0459176
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C15H13Cl2N5O
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| Molecular Weight |
350.209
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| Canonical SMILES |
COc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
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| InChI |
InChI=1S/C15H13Cl2N5O/c1-23-11-5-2-4-10(8-11)9-18-15-19-20-21-22(15)13-7-3-6-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21)
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| InChIKey |
LRYZFFQIBWKGEK-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