General Information of the Compound
| Compound ID |
CP0044057
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| Compound Name |
4-Oxo-1-[3-(1-oxy-pyridin-3-ylethynyl)-phenyl]-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclopropylamide
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| Synonyms |
MK-0873
MK-0873 (dermatological, psoriasis)
MK-0873 (dermatological, psoriasis), Merck & Co
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| Structure |
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| Formula |
C25H18N4O3
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| Molecular Weight |
422.444
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| Canonical SMILES |
[O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
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| InChI |
InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)
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| InChIKey |
JJWKQXNHYDJXKF-UHFFFAOYSA-N
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| CAS |
500355-52-2
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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