General Information of the Compound
| Compound ID |
CP0141462
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| Compound Name |
US10858323, Compound 1
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| Synonyms |
PMID29671355-Compound-9
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| Structure |
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| Formula |
C14H14N4O2
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| Molecular Weight |
270.292
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| Canonical SMILES |
ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1
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| InChI |
InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
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| InChIKey |
LIIWIMDSZVNYHY-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
Clinical Information about the Compound
Drug 1 ( PMID29671355-Compound-9 )
| Drug Name | PMID29671355-Compound-9 | ||
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| Company | ACETYLON PHARMACEUTICALS, INC. VIB VZW KATHOLIEKE UNVERSITEIT LEUVEN LIFE SCIENCES RESEARCH PARTNERS VZW | ||
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