General Information of the Compound
| Compound ID |
CP0430542
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| Compound Name |
3-[4-(3-hydroxy-4-methoxyanilino)quinazolin-2-yl]benzonitrile
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| Structure |
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| Formula |
C22H16N4O2
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| Molecular Weight |
368.396
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)C#N)cc1O
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| InChI |
InChI=1S/C22H16N4O2/c1-28-20-10-9-16(12-19(20)27)24-22-17-7-2-3-8-18(17)25-21(26-22)15-6-4-5-14(11-15)13-23/h2-12,27H,1H3,(H,24,25,26)
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| InChIKey |
WROFPAOOPRLSQD-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