General Information of the Compound
| Compound ID |
CP0094059
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| Compound Name |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
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| Synonyms |
1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidine-2-one
2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
2(1H)-Pyrimidinone,3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
3,6-Dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
36945-98-9
AG 3-5
AG-3-5
BRN 0700310
CHEMBL258405
CS70PZQ4QJ
ICILLIN
Icilin
Icilin(AG 3-5)
UNII-CS70PZQ4QJ
icilin
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| Structure |
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| Formula |
C16H13N3O4
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| Molecular Weight |
311.297
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| Canonical SMILES |
Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
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| InChIKey |
RCEFMOGVOYEGJN-UHFFFAOYSA-N
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| CAS |
36945-98-9
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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: PT06109, Geminin
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Clinical Information about the Compound