General Information of the Compound
| Compound ID |
CP0459177
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C20H24Cl2N6O
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| Molecular Weight |
435.359
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| Canonical SMILES |
CCN(CC)CCOc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H24Cl2N6O/c1-3-27(4-2)12-13-29-18-11-6-5-8-15(18)14-23-20-24-25-26-28(20)17-10-7-9-16(21)19(17)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,24,26)
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| InChIKey |
BBLNJHMMYVVYSY-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