General Information of the Compound
| Compound ID |
CP0396585
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| Compound Name |
4-[[1-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]piperidine-3-carbonyl]amino]-2-hydroxybenzoic acid
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| Structure |
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| Formula |
C26H26N6O6S
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| Molecular Weight |
550.597
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)N2CCCC(C2)C(=O)Nc2ccc(C(O)=O)c(O)c2)cc1OC
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| InChI |
InChI=1S/C26H26N6O6S/c1-37-19-8-6-16(11-20(19)38-2)28-22-21-24(39-13-27-21)31-26(30-22)32-9-3-4-14(12-32)23(34)29-15-5-7-17(25(35)36)18(33)10-15/h5-8,10-11,13-14,33H,3-4,9,12H2,1-2H3,(H,29,34)(H,35,36)(H,28,30,31)
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| InChIKey |
WGXGWBXIBDGTOB-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