General Information of the Compound
| Compound ID |
CP0400772
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| Compound Name |
N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
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| Structure |
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| Formula |
C27H21N5O3
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| Molecular Weight |
463.497
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Oc5ccccc5)cc4)ncc3c2)ccn1
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| InChI |
InChI=1S/C27H21N5O3/c1-28-26(33)25-16-23(13-14-29-25)35-22-11-12-24-18(15-22)17-30-27(32-24)31-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-17H,1H3,(H,28,33)(H,30,31,32)
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| InChIKey |
DXCFCPLDEWZTNB-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