General Information of the Compound
| Compound ID |
CP0397181
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| Compound Name |
4-[2-(3-chloroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H16ClN5O2
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| Molecular Weight |
405.845
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Cl)c4)ncc3c2)ccn1
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| InChI |
InChI=1S/C21H16ClN5O2/c1-23-20(28)19-11-17(7-8-24-19)29-16-5-6-18-13(9-16)12-25-21(27-18)26-15-4-2-3-14(22)10-15/h2-12H,1H3,(H,23,28)(H,25,26,27)
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| InChIKey |
REQVMWVHXFIMFC-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