General Information of the Compound
| Compound ID |
CP0468576
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| Compound Name |
2-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(4-chlorophenyl)nicotinamide
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| Structure |
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| Formula |
C23H17ClFN5O2
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| Molecular Weight |
449.873
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| Canonical SMILES |
Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(Cl)cc3)cc2F)ccn1
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| InChI |
InChI=1S/C23H17ClFN5O2/c24-14-3-5-15(6-4-14)30-23(31)18-2-1-10-28-22(18)29-16-7-8-20(19(25)12-16)32-17-9-11-27-21(26)13-17/h1-13H,(H2,26,27)(H,28,29)(H,30,31)
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| InChIKey |
PUJUGGZAAHMVAS-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