General Information of the Compound
| Compound ID |
CP0402412
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| Compound Name |
3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C22H19N3OS
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| Molecular Weight |
373.481
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ccccn1
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| InChI |
InChI=1S/C22H19N3OS/c1-2-14-10-11-18(27-14)21-20-16(13-25(21)19-9-5-6-12-23-19)22(26)15-7-3-4-8-17(15)24-20/h3-12,21H,2,13H2,1H3,(H,24,26)
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| InChIKey |
YRLVYYTXZPEBCJ-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