General Information of the Compound
| Compound ID |
CP0521666
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| Compound Name |
3-(5-ethylthiophen-2-yl)-2-[5-(2-fluoropyridin-3-yl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C26H20FN5OS
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| Molecular Weight |
469.545
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ncc(cn1)-c1cccnc1F
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| InChI |
InChI=1S/C26H20FN5OS/c1-2-16-9-10-21(34-16)23-22-19(24(33)18-6-3-4-8-20(18)31-22)14-32(23)26-29-12-15(13-30-26)17-7-5-11-28-25(17)27/h3-13,23H,2,14H2,1H3,(H,31,33)
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| InChIKey |
ZWYULROZPYMBJF-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