General Information of the Compound
| Compound ID |
CP0385532
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| Compound Name |
4-[[9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C25H16ClFN4O2
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| Molecular Weight |
458.88
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| Canonical SMILES |
OC(=O)c1ccc(Nc2ncc3CN=C(c4ccccc4F)c4cc(Cl)ccc4-c3n2)cc1
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| InChI |
InChI=1S/C25H16ClFN4O2/c26-16-7-10-18-20(11-16)23(19-3-1-2-4-21(19)27)28-12-15-13-29-25(31-22(15)18)30-17-8-5-14(6-9-17)24(32)33/h1-11,13H,12H2,(H,32,33)(H,29,30,31)
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| InChIKey |
USEFICSVVKKZGA-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