General Information of the Compound
| Compound ID |
CP0181210
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| Compound Name |
4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-1,1,1-trifluoro-4-methyl-2-[(5-methylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
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| Structure |
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| Formula |
C23H25F3N2O5S2
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| Molecular Weight |
530.59
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1cccc2CCS(=O)(=O)c12
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| InChI |
InChI=1S/C23H25F3N2O5S2/c1-21(2,17-6-4-5-14-7-8-35(32,33)20(14)17)13-22(29,23(24,25)26)11-16-9-15-10-19(34(3,30)31)27-12-18(15)28-16/h4-6,9-10,12,28-29H,7-8,11,13H2,1-3H3
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| InChIKey |
OXLAICHJWSSTJE-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