General Information of the Compound
| Compound ID |
CP0108764
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| Compound Name |
4-((2-chlorobenzyl)(1-(1-ethyl-1H-tetrazol-5-yl)ethyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C19H18Cl2N6
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| Molecular Weight |
401.301
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| Canonical SMILES |
CCn1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C19H18Cl2N6/c1-3-27-19(23-24-25-27)13(2)26(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,3,12H2,1-2H3
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| InChIKey |
CJHTXBQDGOXBGU-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