General Information of the Compound
| Compound ID |
CP0281482
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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-(3,4-difluorophenylsulfonyl)acrylamide
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| Structure |
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| Formula |
C25H22Cl2F2N2O4S
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| Molecular Weight |
555.43
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| Canonical SMILES |
CC12CC(=O)N(Cc3cccc(Cl)c3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H22Cl2F2N2O4S/c1-25-11-3-5-15(7-10-21(32)30-36(34,35)17-8-9-19(28)20(29)12-17)24(25)31(22(33)13-25)14-16-4-2-6-18(26)23(16)27/h2,4,6-10,12H,3,5,11,13-14H2,1H3,(H,30,32)/b10-7+
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| InChIKey |
XOQTVCQBQJGVFG-JXMROGBWSA-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