General Information of the Compound
| Compound ID |
CP0915915
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| Compound Name |
ethyl 5-((6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)amino)thiazole-4-carboxylate
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| Structure |
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| Formula |
C31H25N5O4S
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| Molecular Weight |
563.639
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| Canonical SMILES |
CCOC(=O)c1ncsc1Nc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H25N5O4S/c1-3-40-31(38)26-29(41-18-32-26)34-27-24(20-14-16-22(39-2)17-15-20)30(37)36-28(33-27)23(19-10-6-4-7-11-19)25(35-36)21-12-8-5-9-13-21/h4-18,33-34H,3H2,1-2H3
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| InChIKey |
MZMBSXYHFXQNOC-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