General Information of the Compound
| Compound ID |
CP0476695
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| Compound Name |
N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-3-sulfonamide
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| Structure |
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| Formula |
C25H34N2O3S2
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| Molecular Weight |
474.692
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| Canonical SMILES |
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1
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| InChI |
InChI=1S/C25H34N2O3S2/c1-6-27(15-9-7-8-14-25(2,3)4)20-22-11-10-12-23(19-22)30-17-16-26(5)32(28,29)24-13-18-31-21-24/h7,9-13,18-19,21H,6,15-17,20H2,1-5H3/b9-7+
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| InChIKey |
HHIRODMBGMDYOP-VQHVLOKHSA-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