General Information of the Compound
| Compound ID |
CP0527471
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| Compound Name |
N-cyclopropyl-N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C27H36N2O3S2
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| Molecular Weight |
500.73
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| Canonical SMILES |
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C2CC2)S(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C27H36N2O3S2/c1-5-28(17-8-6-7-16-27(2,3)4)22-23-11-9-12-25(21-23)32-19-18-29(24-14-15-24)34(30,31)26-13-10-20-33-26/h6,8-13,20-21,24H,5,14-15,17-19,22H2,1-4H3/b8-6+
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| InChIKey |
YBNORRGCZKVSFO-SOFGYWHQSA-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