General Information of the Compound
| Compound ID |
CP0754271
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| Compound Name |
N-(5-{3-[(ethylsulfonyl)amino]phenyl}-2,3-dihydro-1H-inden-2-yl)-2-propanesulfonamide
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| Structure |
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| Formula |
C20H26N2O4S2
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| Molecular Weight |
422.572
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| Canonical SMILES |
CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1
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| InChI |
InChI=1S/C20H26N2O4S2/c1-4-27(23,24)21-19-7-5-6-15(11-19)16-8-9-17-12-20(13-18(17)10-16)22-28(25,26)14(2)3/h5-11,14,20-22H,4,12-13H2,1-3H3
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| InChIKey |
HEBVYFHUZGQKNN-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