General Information of the Compound
| Compound ID |
CP0037062
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| Compound Name |
6-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
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| Synonyms |
1356834-62-2
6-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylpyrimidin-4-oneBC600825
BDBM50362580
CHEMBL1938867
GTPL5733
N-Me-aminopyrimidinone 9
ZINC73167698
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| Structure |
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| Formula |
C16H21N3OS
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| Molecular Weight |
303.431
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| Canonical SMILES |
Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
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| InChI |
InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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| InChIKey |
AJMIFZLEDTUBTN-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Clinical Information about the Compound