General Information of the Compound
| Compound ID |
CP0002988
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| Compound Name |
Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (11)
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| Synonyms |
( inverted exclamation markA)-Monastrol
254753-54-3
329689-23-8
4-(3-Hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic Acid Ethyl Ester
AC1MGLGQ
BSPBio_001273
CBDivE_015834
CHEBI:75382
ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
KBio2_000613
KBio3_001085
KBioGR_000613
KBioSS_000613
Lopac0_000821
MLS006011746
Monastrol
Oprea1_487786
Probes1_000001
Probes1_000042
Probes1_000312
Probes2_000257
Probes2_000376
SCHEMBL3168349
SR-01000357662
monastrol
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| Structure |
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| Formula |
C14H16N2O3S
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| Molecular Weight |
292.36
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
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| InChI |
InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
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| InChIKey |
LOBCDGHHHHGHFA-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