General Information of the Compound
| Compound ID |
CP0547128
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| Compound Name |
2-[5-(3,4-dimethoxyphenyl)pyrimidin-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 |
C29H26N4O3S
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| Molecular Weight |
510.619
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ncc(cn1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H26N4O3S/c1-4-19-10-12-25(37-19)27-26-21(28(34)20-7-5-6-8-22(20)32-26)16-33(27)29-30-14-18(15-31-29)17-9-11-23(35-2)24(13-17)36-3/h5-15,27H,4,16H2,1-3H3,(H,32,34)
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| InChIKey |
OELMHQHXIKFHRQ-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