General Information of the Compound
| Compound ID |
CP0645708
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| Compound Name |
N-{5-[3-(2-oxopropyl)phenyl]-2,3-dihydro-1H-inden-2-yl}-2-propanesulfonamide
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| Structure |
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| Formula |
C21H25NO3S
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| Molecular Weight |
371.502
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| Canonical SMILES |
CC(=O)Cc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1
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| InChI |
InChI=1S/C21H25NO3S/c1-14(2)26(24,25)22-21-12-19-8-7-18(11-20(19)13-21)17-6-4-5-16(10-17)9-15(3)23/h4-8,10-11,14,21-22H,9,12-13H2,1-3H3
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| InChIKey |
HPSGNLPKUWWXQQ-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