General Information of the Compound
| Compound ID |
CP0006368
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| Compound Name |
1-hydroxy-3-(1H-indol-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C19H12N4O3
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| Molecular Weight |
344.33
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| Canonical SMILES |
ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22)
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| InChIKey |
AKXUZWMUYIYFBC-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
Protein ID: PT01223, Aurora kinase B
Protein ID: PT03105, Receptor-interacting serine/threonine-protein kinase 3