General Information of the Compound
| Compound ID |
CP0457227
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| Compound Name |
3-(5-ethylthiophen-2-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C21H18N4OS
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| Molecular Weight |
374.469
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ncccn1
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| InChI |
InChI=1S/C21H18N4OS/c1-2-13-8-9-17(27-13)19-18-15(12-25(19)21-22-10-5-11-23-21)20(26)14-6-3-4-7-16(14)24-18/h3-11,19H,2,12H2,1H3,(H,24,26)
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| InChIKey |
DRWIDCWXXLOIMG-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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'