General Information of the Compound
| Compound ID |
CP0447057
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| Compound Name |
1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C18H15N7O
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| Molecular Weight |
345.366
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| Canonical SMILES |
O=C1CCCN1c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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| InChI |
InChI=1S/C18H15N7O/c26-16-6-3-11-24(16)13-9-7-12(8-10-13)19-17-18-21-22-23-25(18)15-5-2-1-4-14(15)20-17/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
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| InChIKey |
ZODBMINJVGKYIG-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