General Information of the Compound
| Compound ID |
CP0514389
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| Compound Name |
3-[[5-(2,3-dichloro-4-fluorophenyl)tetrazol-1-yl]methyl]pyridine
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| Structure |
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| Formula |
C13H8Cl2FN5
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| Molecular Weight |
324.146
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| Canonical SMILES |
Fc1ccc(-c2nnnn2Cc2cccnc2)c(Cl)c1Cl
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| InChI |
InChI=1S/C13H8Cl2FN5/c14-11-9(3-4-10(16)12(11)15)13-18-19-20-21(13)7-8-2-1-5-17-6-8/h1-6H,7H2
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| InChIKey |
PDNKNHYHFRICPY-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