General Information of the Compound
| Compound ID |
CP0459178
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]tetrazol-5-amine
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| Structure |
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| Formula |
C15H11Cl2F2N5O
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| Molecular Weight |
386.189
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| Canonical SMILES |
FC(F)Oc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C15H11Cl2F2N5O/c16-10-5-3-6-11(13(10)17)24-15(21-22-23-24)20-8-9-4-1-2-7-12(9)25-14(18)19/h1-7,14H,8H2,(H,20,21,23)
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| InChIKey |
LIXMHPAOIYQKNQ-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