General Information of the Compound
| Compound ID |
CP0551191
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| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C26H27N5O4
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| Molecular Weight |
473.533
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| Canonical SMILES |
COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(ccc34)N(C)C)cc2)cc1OC
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| InChI |
InChI=1S/C26H27N5O4/c1-31(2)19-8-11-21-22(14-19)28-16-29-25(21)35-20-9-6-18(7-10-20)30-26(32)27-15-17-5-12-23(33-3)24(13-17)34-4/h5-14,16H,15H2,1-4H3,(H2,27,30,32)
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| InChIKey |
SIOBCSOMEJFXEU-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