General Information of the Compound
| Compound ID |
CP0221597
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| Compound Name |
4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-8-(trifluoromethyl)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H13ClF4N6
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| Molecular Weight |
460.822
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| Canonical SMILES |
Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl
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| InChI |
InChI=1S/C21H13ClF4N6/c22-17-5-12(1-2-18(17)23)32-19-11(6-27)7-30-20-15(19)3-13(4-16(20)21(24,25)26)29-9-14-8-28-10-31-14/h1-5,7-8,10,29H,9H2,(H,28,31)(H,30,32)
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| InChIKey |
VNDJQGZFTOLUSU-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