General Information of the Compound
| Compound ID |
CP0485121
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| Compound Name |
1-[(4-cyanophenyl)methyl]-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C25H22N6O2
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| Molecular Weight |
438.491
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(cc4)C#N)cc3)ncnc2c1
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| InChI |
InChI=1S/C25H22N6O2/c1-31(2)20-9-12-22-23(13-20)28-16-29-24(22)33-21-10-7-19(8-11-21)30-25(32)27-15-18-5-3-17(14-26)4-6-18/h3-13,16H,15H2,1-2H3,(H2,27,30,32)
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| InChIKey |
QHVBLGCKKMQNAF-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