General Information of the Compound
| Compound ID |
CP0382953
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| Compound Name |
N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-propylthiophene-2-sulfonamide
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| Structure |
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| Formula |
C27H38N2O3S2
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| Molecular Weight |
502.746
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| Canonical SMILES |
CCCN(CCOc1cccc(CN(CC)C\C=C\C#CC(C)(C)C)c1)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C27H38N2O3S2/c1-6-17-29(34(30,31)26-15-12-21-33-26)19-20-32-25-14-11-13-24(22-25)23-28(7-2)18-10-8-9-16-27(3,4)5/h8,10-15,21-22H,6-7,17-20,23H2,1-5H3/b10-8+
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| InChIKey |
MYKWNGXCGIAQPE-CSKARUKUSA-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