General Information of the Compound
| Compound ID |
CP0428118
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| Compound Name |
ethyl 2-[[2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]acetyl]amino]-1,3-benzothiazole-6-carboxylate
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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 |
CCOC(=O)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C27H21N5O5S/c1-2-37-26(36)16-12-13-20-21(14-16)38-27(29-20)30-22(33)15-28-24(34)23-18-10-6-7-11-19(18)25(35)32(31-23)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,28,34)(H,29,30,33)
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| InChIKey |
DBCJOIZFAJJEFO-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