General Information of the Compound
| Compound ID |
CP0277537
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| Compound Name |
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(pyridin-3-ylmethyl)amino]quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H14Cl2FN5
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| Molecular Weight |
438.293
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| Canonical SMILES |
Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccnc4)cc23)C#N)cc1Cl
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| InChI |
InChI=1S/C22H14Cl2FN5/c23-18-7-15(3-4-20(18)25)30-21-14(9-26)12-29-22-17(21)6-16(8-19(22)24)28-11-13-2-1-5-27-10-13/h1-8,10,12,28H,11H2,(H,29,30)
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| InChIKey |
VERMEYXVPILBCD-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