General Information of the Compound
| Compound ID |
CP0441357
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C18H18Cl2N6O
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| Molecular Weight |
405.289
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| Canonical SMILES |
Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1N1CCOCC1
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| InChI |
InChI=1S/C18H18Cl2N6O/c19-14-5-3-7-16(17(14)20)26-18(22-23-24-26)21-12-13-4-1-2-6-15(13)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,21,22,24)
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| InChIKey |
RJINXHNDOYQAIH-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