General Information of the Compound
| Compound ID |
CP0444563
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| Compound Name |
9-dimethylamino-3-(4-methylphenyl)-3H-5-thia-1,3,7-triazafluoren-4-one
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| Synonyms |
A 850002
A-850002
A850002
compound 28b [PMID: 16279797]
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| Structure |
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| Formula |
C18H16N4OS
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| Molecular Weight |
336.42
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| Canonical SMILES |
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
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| InChI |
InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3
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| InChIKey |
LPWKFUVWWQYLOD-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: PT00854, Metabotropic glutamate receptor 5
Clinical Information about the Compound