General Information of the Compound
Compound ID |
CP0489079
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Compound Name |
3-(cyclopropylmethoxy)-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
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Structure |
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Formula |
C22H29N3O5S
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Molecular Weight |
447.557
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Canonical SMILES |
CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
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InChI |
InChI=1S/C22H29N3O5S/c1-22(2,12-4-3-5-13-25-14-11-20(26)23-21(25)27)24-31(28,29)19-8-6-7-18(15-19)30-16-17-9-10-17/h3,5-8,11,14-15,17,24H,4,9-10,12-13,16H2,1-2H3,(H,23,26,27)/b5-3+
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InChIKey |
GTLFCAZXIQTPAX-HWKANZROSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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