General Information of the Compound
| Compound ID |
CP0012745
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| Compound Name |
A-301
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| Synonyms |
2(3H)-Benzoxazolone, 5-((2-((4-fluoro-3-methoxy-5-methylphenyl)amino)-5-methyl-4-pyrimidinyl)amino)-
5-((2-((4-Fluoro-3-methoxy-5-methylphenyl)amino)-5-methyl-4-pyrimidinyl)amino)-2(3H)-benzoxazolone
5-((2-(4-Fluoro-3-methoxy-5-methylphenylamino)-5-methylpyrimidin-4-yl)amino)benzo(d)oxazol-2(3H)-one
5-(2-(4-fluoro-3-methoxy-5-methylphenylamino)-5-methylpyrimidin-4-ylamino)benzo[d]oxazol-2(3h)-one
5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
A-301
ATI-502
CHEMBL4594441
GTPL10638
Ifidancitinib [INN]
R105E71J13
SCHEMBL342002
UNII-R105E71J13
ifidancitinib
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| Structure |
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| Formula |
C20H18FN5O3
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| Molecular Weight |
395.394
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| Canonical SMILES |
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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| InChI |
InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)
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| InChIKey |
OYFMQDVLFYKOPZ-UHFFFAOYSA-N
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| CAS |
1236667-40-5
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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