General Information of the Compound
| Compound ID |
CP0478556
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| Compound Name |
3-(5-ethylthiophen-2-yl)-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C28H24N4O2S
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| Molecular Weight |
480.593
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| Canonical SMILES |
CCc1ccc(s1)C1N(Cc2c1[nH]c1ccccc1c2=O)c1ncc(cn1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H24N4O2S/c1-3-20-12-13-24(35-20)26-25-22(27(33)21-6-4-5-7-23(21)31-25)16-32(26)28-29-14-18(15-30-28)17-8-10-19(34-2)11-9-17/h4-15,26H,3,16H2,1-2H3,(H,31,33)
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| InChIKey |
KHNXDVJTAUGGRL-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