General Information of the Compound
| Compound ID |
CP0091578
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| Compound Name |
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
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| Synonyms |
4-[(3-Chloro-4-fluorophenyl)amino]-6-[(1H-imidazole-5-ylmethyl)amino]-8-chloro-3-quinolinecarbonitrile
8-chloro-quinoline-3-carbonitrile
BDBM21898
BRD-K00088062-001-01-3
CHEBI:94979
CHEMBL436817
Cyanoquinoline, 11
SCHEMBL6071997
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| Structure |
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| Formula |
C20H13Cl2FN6
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| Molecular Weight |
427.27
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| Canonical SMILES |
Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
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| InChI |
InChI=1S/C20H13Cl2FN6/c21-16-4-12(1-2-18(16)23)29-19-11(6-24)7-27-20-15(19)3-13(5-17(20)22)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)
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| InChIKey |
ONXROKMQGCSOMG-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
Clinical Information about the Compound