General Information of the Compound
| Compound ID |
CP0444564
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| Compound Name |
9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3-diazafluoren-4-one
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| Structure |
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| Formula |
C20H19N3OS
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| Molecular Weight |
349.459
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
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| InChI |
InChI=1S/C20H19N3OS/c1-4-13-8-10-14(11-9-13)23-12-21-18-17-15(22(2)3)6-5-7-16(17)25-19(18)20(23)24/h5-12H,4H2,1-3H3
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| InChIKey |
PNYBDVUFMGSQSL-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