General Information of the Compound
| Compound ID |
CP0494135
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4cccnc4)cc3)ncnc2c1
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| InChI |
InChI=1S/C23H22N6O2/c1-29(2)18-7-10-20-21(12-18)26-15-27-22(20)31-19-8-5-17(6-9-19)28-23(30)25-14-16-4-3-11-24-13-16/h3-13,15H,14H2,1-2H3,(H2,25,28,30)
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| InChIKey |
YZAMADOXVUSMOR-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