General Information of the Compound
| Compound ID |
CP0254209
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| Compound Name |
3-(1-(3,4-difluorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
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| Structure |
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| Formula |
C25H21F5N2O4S
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| Molecular Weight |
540.51
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| Canonical SMILES |
CC12CC(=O)N(Cc3ccc(F)c(F)c3)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C25H21F5N2O4S/c1-25-8-2-3-15(24(25)32(23(34)12-25)13-14-4-6-16(26)17(27)9-14)5-7-22(33)31-37(35,36)21-11-19(29)18(28)10-20(21)30/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,31,33)/b7-5+
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| InChIKey |
KULJDQIWCRJQBU-FNORWQNLSA-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