General Information of the Compound
| Compound ID |
CP0525086
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| Compound Name |
3-bromo-N-[3-[(7-chloro-1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]phenyl]benzamide
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| Structure |
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| Formula |
C21H14BrClN4O3
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| Molecular Weight |
485.725
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| Canonical SMILES |
Clc1cc2c(cc1Nc1cccc(NC(=O)c3cccc(Br)c3)c1)c(=O)[nH][nH]c2=O
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| InChI |
InChI=1S/C21H14BrClN4O3/c22-12-4-1-3-11(7-12)19(28)25-14-6-2-5-13(8-14)24-18-10-16-15(9-17(18)23)20(29)26-27-21(16)30/h1-10,24H,(H,25,28)(H,26,29)(H,27,30)
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| InChIKey |
OFJLOYNZQDQGGW-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