General Information of the Compound
| Compound ID |
CP0274965
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| Compound Name |
3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acrylamide
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| Structure |
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| Formula |
C23H20Cl4N2O4S2
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| Molecular Weight |
594.369
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| Canonical SMILES |
CC12CC(=O)N(Cc3cccc(Cl)c3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1
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| InChI |
InChI=1S/C23H20Cl4N2O4S2/c1-23-9-3-5-13(7-8-17(30)28-35(32,33)19-10-16(25)22(27)34-19)21(23)29(18(31)11-23)12-14-4-2-6-15(24)20(14)26/h2,4,6-8,10H,3,5,9,11-12H2,1H3,(H,28,30)/b8-7+
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| InChIKey |
RUIWSDQFWOQTIO-BQYQJAHWSA-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