General Information of the Compound
| Compound ID |
CP0393606
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| Compound Name |
N-[3-[(7-chloro-1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]phenyl]-3-cyanobenzamide
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| Structure |
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| Formula |
C22H14ClN5O3
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| Molecular Weight |
431.839
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| Canonical SMILES |
Clc1cc2c(cc1Nc1cccc(NC(=O)c3cccc(c3)C#N)c1)c(=O)[nH][nH]c2=O
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| InChI |
InChI=1S/C22H14ClN5O3/c23-18-9-16-17(22(31)28-27-21(16)30)10-19(18)25-14-5-2-6-15(8-14)26-20(29)13-4-1-3-12(7-13)11-24/h1-10,25H,(H,26,29)(H,27,30)(H,28,31)
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| InChIKey |
DOSASLICLCWVOI-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