General Information of the Compound
| Compound ID |
CP0395185
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C15H10Cl2F3N5
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| Molecular Weight |
388.18
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| Canonical SMILES |
FC(F)(F)c1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
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| InChI |
InChI=1S/C15H10Cl2F3N5/c16-11-5-2-6-12(13(11)17)25-14(22-23-24-25)21-8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22,24)
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| InChIKey |
XYHVXWDEDMXFCM-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