General Information of the Compound
| Compound ID |
CP0226069
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| Compound Name |
4-((2-chlorobenzyl)((1-methyl-1H-tetrazol-5-yl)methyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C17H14Cl2N6
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| Molecular Weight |
373.247
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| Canonical SMILES |
Cn1nnnc1CN(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C17H14Cl2N6/c1-24-17(21-22-23-24)11-25(10-13-4-2-3-5-15(13)18)14-7-6-12(9-20)16(19)8-14/h2-8H,10-11H2,1H3
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| InChIKey |
SHMCTJHIHNSMLH-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