General Information of the Compound
| Compound ID |
CP0550946
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| Compound Name |
4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H24N2O2S
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| Molecular Weight |
428.557
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| Canonical SMILES |
CC1=C(C(c2csc3ccccc23)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C26H24N2O2S/c1-15-8-3-5-10-19(15)28-26(30)23-16(2)27-20-11-7-12-21(29)25(20)24(23)18-14-31-22-13-6-4-9-17(18)22/h3-6,8-10,13-14,24,27H,7,11-12H2,1-2H3,(H,28,30)
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| InChIKey |
BGRZUHOAWVKGNV-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