General Information of the Compound
| Compound ID |
CP0092898
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| Compound Name |
1-butyl-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]urea
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| Structure |
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
CCCCNC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
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| InChI |
InChI=1S/C21H25N5O3/c1-4-5-10-22-21(27)26-15-8-6-14(7-9-15)25-20-16-11-18(28-2)19(29-3)12-17(16)23-13-24-20/h6-9,11-13H,4-5,10H2,1-3H3,(H2,22,26,27)(H,23,24,25)
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| InChIKey |
ZXRPRSOBABQJOG-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