General Information of the Compound
| Compound ID |
CP0428018
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| Compound Name |
4-chloro-N-[5-[[3-(2,6-dimethylphenyl)-4-(2-methylpropoxy)-2-oxocyclopent-3-en-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C34H38ClNO4S
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| Molecular Weight |
592.201
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| Canonical SMILES |
CC(C)COC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1c(C)cccc1C
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| InChI |
InChI=1S/C34H38ClNO4S/c1-21(2)20-40-31-19-26(34(37)33(31)32-22(3)7-5-8-23(32)4)17-24-9-6-10-25-18-28(13-16-30(24)25)36-41(38,39)29-14-11-27(35)12-15-29/h5-12,14-15,21,26,28,36H,13,16-20H2,1-4H3
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| InChIKey |
YRBHJZIEWRWRGA-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