General Information of the Compound
| Compound ID |
CP0489916
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| Compound Name |
N-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
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| Structure |
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| Formula |
C24H16N6O5S
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| Molecular Weight |
500.496
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C24H16N6O5S/c31-20(27-24-26-18-11-10-15(30(34)35)12-19(18)36-24)13-25-22(32)21-16-8-4-5-9-17(16)23(33)29(28-21)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,32)(H,26,27,31)
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| InChIKey |
XAAUSVCQDOGWLT-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