General Information of the Compound
| Compound ID |
CP0051398
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| Compound Name |
8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-1,2,3-triazol-4-ylmethyl)amino]quinoline-3-carbonitrile
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| Structure |
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| Formula |
C19H12BrClFN7
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| Molecular Weight |
472.709
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| Canonical SMILES |
Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
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| InChI |
InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
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| InChIKey |
KEZDJRADZYWSSG-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