General Information of the Compound
| Compound ID |
CP0302572
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| Compound Name |
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H20Cl2F2N2O4S2
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| Molecular Weight |
561.459
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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(Cl)c(Cl)s1
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| InChI |
InChI=1S/C23H20Cl2F2N2O4S2/c1-23-8-2-3-14(5-7-18(30)28-35(32,33)20-10-15(24)22(25)34-20)21(23)29(19(31)11-23)12-13-4-6-16(26)17(27)9-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,28,30)/b7-5+
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| InChIKey |
PHNUKZHPDNLCSR-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