General Information of the Compound
| Compound ID |
CP0282163
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| Compound Name |
4-[[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C27H21N5O5S
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| Molecular Weight |
527.562
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
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| InChI |
InChI=1S/C27H21N5O5S/c1-36-20-11-10-19(13-21(20)37-2)29-24-22-26(38-14-28-22)32-23(31-24)16-4-3-5-17(12-16)25(33)30-18-8-6-15(7-9-18)27(34)35/h3-14H,1-2H3,(H,30,33)(H,34,35)(H,29,31,32)
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| InChIKey |
GMIREKPIMOCOBW-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