General Information of the Compound
| Compound ID |
CP0411277
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| Compound Name |
(3S)-3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C26H21N5OS
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| Molecular Weight |
451.555
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| Canonical SMILES |
CCc1ccc(s1)[C@H]1N(Cc2c1[nH]c1ccccc1c2=O)c1ncc(cn1)-c1ccccn1
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| InChI |
InChI=1S/C26H21N5OS/c1-2-17-10-11-22(33-17)24-23-19(25(32)18-7-3-4-9-21(18)30-23)15-31(24)26-28-13-16(14-29-26)20-8-5-6-12-27-20/h3-14,24H,2,15H2,1H3,(H,30,32)/t24-/m1/s1
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| InChIKey |
IFMLEMDUMAPODC-XMMPIXPASA-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'
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A