General Information of the Compound
| Compound ID |
CP0563115
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| Compound Name |
N-ethyl-N-[[5-(4-methylsulfonylphenyl)-1-octylindol-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C28H40N2O2S
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| Molecular Weight |
468.707
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H40N2O2S/c1-5-8-9-10-11-12-19-30-22-25(21-29(6-2)7-3)27-20-24(15-18-28(27)30)23-13-16-26(17-14-23)33(4,31)32/h13-18,20,22H,5-12,19,21H2,1-4H3
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| InChIKey |
JWTHQVWMRJVOIZ-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