General Information of the Compound
| Compound ID |
CP0551256
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| Compound Name |
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
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| Structure |
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| Formula |
C22H22N6O3S
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| Molecular Weight |
450.524
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| Canonical SMILES |
COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC
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| InChI |
InChI=1S/C22H22N6O3S/c1-30-18-10-16-17(11-19(18)31-2)25-13-26-20(16)23-9-8-15-12-24-22(32-15)28-21(29)27-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,24,27,28,29)
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| InChIKey |
YRWLMJGCYQGYBC-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