General Information of the Compound
| Compound ID |
CP0073413
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| Compound Name |
4-((2-chlorobenzyl)(3-methyl-1-(1-methyl-1H-tetrazol-5-yl)butyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C21H22Cl2N6
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| Molecular Weight |
429.355
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| Canonical SMILES |
CC(C)CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C
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| InChI |
InChI=1S/C21H22Cl2N6/c1-14(2)10-20(21-25-26-27-28(21)3)29(13-16-6-4-5-7-18(16)22)17-9-8-15(12-24)19(23)11-17/h4-9,11,14,20H,10,13H2,1-3H3
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| InChIKey |
DAZGBWZWTXJDJO-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