General Information of the Compound
| Compound ID |
CP0515171
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| Compound Name |
N-(2-aminophenyl)-4-[(1-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
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| Structure |
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| Formula |
C22H20N4O3S
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| Molecular Weight |
420.494
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| Canonical SMILES |
CCn1c2ccsc2c(=O)n(Cc2ccc(cc2)C(=O)Nc2ccccc2N)c1=O
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| InChI |
InChI=1S/C22H20N4O3S/c1-2-25-18-11-12-30-19(18)21(28)26(22(25)29)13-14-7-9-15(10-8-14)20(27)24-17-6-4-3-5-16(17)23/h3-12H,2,13,23H2,1H3,(H,24,27)
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| InChIKey |
JYNOJOKYKJNDRW-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