General Information of the Compound
| Compound ID |
CP0519876
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| Compound Name |
N-ethyl-N-[[5-(4-methylphenyl)-1-octylindol-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C28H40N2
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| Molecular Weight |
404.642
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(C)cc1
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| InChI |
InChI=1S/C28H40N2/c1-5-8-9-10-11-12-19-30-22-26(21-29(6-2)7-3)27-20-25(17-18-28(27)30)24-15-13-23(4)14-16-24/h13-18,20,22H,5-12,19,21H2,1-4H3
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| InChIKey |
KGOKUWMVDMLYIS-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