General Information of the Compound
| Compound ID |
CP0564229
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| Compound Name |
2-(5-bromopyrimidin-2-yl)-3-(5-ethylthiophen-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C21H17BrN4OS
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| Molecular Weight |
453.365
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ncc(Br)cn1
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| InChI |
InChI=1S/C21H17BrN4OS/c1-2-13-7-8-17(28-13)19-18-15(11-26(19)21-23-9-12(22)10-24-21)20(27)14-5-3-4-6-16(14)25-18/h3-10,19H,2,11H2,1H3,(H,25,27)
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| InChIKey |
OJBOPYJAQQDVEV-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