General Information of the Compound
| Compound ID |
CP0235436
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| Compound Name |
4-((2-chlorobenzyl)(1-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)butyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C22H23Cl2N5
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| Molecular Weight |
428.367
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| Canonical SMILES |
CCCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)n1C
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| InChI |
InChI=1S/C22H23Cl2N5/c1-4-7-21(22-27-26-15(2)28(22)3)29(14-17-8-5-6-9-19(17)23)18-11-10-16(13-25)20(24)12-18/h5-6,8-12,21H,4,7,14H2,1-3H3
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| InChIKey |
XBBPOZPLTBYZHN-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