General Information of the Compound
| Compound ID |
CP0356534
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| Compound Name |
3-[[4-(5-bromo-2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzonitrile
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| Formula |
C18H12BrN3O3
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| Molecular Weight |
398.216
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| Canonical SMILES |
COc1ccc(Br)cc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O
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| InChI |
InChI=1S/C18H12BrN3O3/c1-25-14-6-5-11(19)8-13(14)15-16(18(24)22-17(15)23)21-12-4-2-3-10(7-12)9-20/h2-8H,1H3,(H2,21,22,23,24)
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| InChIKey |
PJQXOWLFWLVNJN-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