General Information of the Compound
| Compound ID |
CP0395186
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
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| Structure |
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| Formula |
C15H13Cl2N5
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| Molecular Weight |
334.21
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| Canonical SMILES |
C[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1
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| InChI |
InChI=1S/C15H13Cl2N5/c1-10(11-6-3-2-4-7-11)18-15-19-20-21-22(15)13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19,21)/t10-/m0/s1
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| InChIKey |
SMYQFPQUGLKPLF-JTQLQIEISA-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