General Information of the Compound
| Compound ID |
CP0509275
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| Compound Name |
N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
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| Structure |
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| Formula |
C14H8Cl3F2N5
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| Molecular Weight |
390.608
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| Canonical SMILES |
Fc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1Cl
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| InChI |
InChI=1S/C14H8Cl3F2N5/c15-8-2-1-3-11(13(8)17)24-14(21-22-23-24)20-6-7-9(18)4-5-10(19)12(7)16/h1-5H,6H2,(H,20,21,23)
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| InChIKey |
HSUGNIHXEJYCDX-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