General Information of the Compound
| Compound ID |
CP0527139
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| Compound Name |
N-[[5-(3-methylphenyl)-1-octylindol-3-yl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C25H34N2O2S
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| Molecular Weight |
426.626
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| Canonical SMILES |
CCCCCCCCn1cc(CNS(C)(=O)=O)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C25H34N2O2S/c1-4-5-6-7-8-9-15-27-19-23(18-26-30(3,28)29)24-17-22(13-14-25(24)27)21-12-10-11-20(2)16-21/h10-14,16-17,19,26H,4-9,15,18H2,1-3H3
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| InChIKey |
MVZQYKANMPOXMT-UHFFFAOYSA-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