General Information of the Compound
| Compound ID |
CP0237238
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| Compound Name |
3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Synonyms |
3S4N4U44G8
902747-98-2
BDBM50345949
GTPL6215
PMID19433355C11s
UNII-3S4N4U44G8
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| Structure |
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| Formula |
C19H14N4O2S
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| Molecular Weight |
362.414
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| Canonical SMILES |
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
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| InChI |
InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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| InChIKey |
WIAAIYJUCDAKFY-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
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound