General Information of the Compound
| Compound ID |
CP0540164
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| Compound Name |
N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methyl-5-thiophen-2-ylthiophene-2-sulfonamide
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| Structure |
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| Formula |
C29H36N2O3S3
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| Molecular Weight |
556.819
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| Canonical SMILES |
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(s2)-c2cccs2)c1
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| InChI |
InChI=1S/C29H36N2O3S3/c1-6-31(18-9-7-8-17-29(2,3)4)23-24-12-10-13-25(22-24)34-20-19-30(5)37(32,33)28-16-15-27(36-28)26-14-11-21-35-26/h7,9-16,21-22H,6,18-20,23H2,1-5H3/b9-7+
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| InChIKey |
IZSUDYXIKUSTIK-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