General Information of the Compound
| Compound ID |
CP0444561
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| Compound Name |
9-dimethylamino-3-(4-cyclohexylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one
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| Structure |
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| Formula |
C23H24N4OS
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| Molecular Weight |
404.539
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| Canonical SMILES |
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CCCCC4)c3=O)c12
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| InChI |
InChI=1S/C23H24N4OS/c1-26(2)18-12-13-24-22-19(18)20-21(29-22)23(28)27(14-25-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3
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| InChIKey |
IHBSSYLSJQTOND-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