General Information of the Compound
| Compound ID |
CP0393604
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| Compound Name |
N-[3-[(7-chloro-1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]phenyl]-3-iodobenzamide
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| Structure |
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| Formula |
C21H14ClIN4O3
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| Molecular Weight |
532.725
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| Canonical SMILES |
Clc1cc2c(cc1Nc1cccc(NC(=O)c3cccc(I)c3)c1)c(=O)[nH][nH]c2=O
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| InChI |
InChI=1S/C21H14ClIN4O3/c22-17-9-15-16(21(30)27-26-20(15)29)10-18(17)24-13-5-2-6-14(8-13)25-19(28)11-3-1-4-12(23)7-11/h1-10,24H,(H,25,28)(H,26,29)(H,27,30)
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| InChIKey |
IESVGVCLYIUCSJ-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