General Information of the Compound
| Compound ID |
CP0544846
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| Compound Name |
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C29H31N3O6S
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| Molecular Weight |
549.649
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| Canonical SMILES |
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(cc3OC)N(CC)CC)c(=O)n2C1c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H31N3O6S/c1-6-31(7-2)20-11-9-18(22(15-20)35-5)14-24-27(33)32-26(19-10-12-21-23(13-19)38-16-37-21)25(28(34)36-8-3)17(4)30-29(32)39-24/h9-15,26H,6-8,16H2,1-5H3/b24-14-
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| InChIKey |
GFZAGALBJGOBJN-OYKKKHCWSA-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