General Information of the Compound
| Compound ID |
CP0198842
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| Compound Name |
4-((2-chlorobenzyl)(1-(1-methyl-1H-tetrazol-5-yl)propyl)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 |
CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C
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| InChI |
InChI=1S/C19H18Cl2N6/c1-3-18(19-23-24-25-26(19)2)27(12-14-6-4-5-7-16(14)20)15-9-8-13(11-22)17(21)10-15/h4-10,18H,3,12H2,1-2H3
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| InChIKey |
ZQHAGKUWVXLULH-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