General Information of the Compound
| Compound ID |
CP0519873
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| Compound Name |
2-(1-octyl-5-m-tolyl-1H-indol-3-yl)-1-(piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C30H40N2O
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| Molecular Weight |
444.663
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| Canonical SMILES |
CCCCCCCCn1cc(CC(=O)N2CCCCC2)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C30H40N2O/c1-3-4-5-6-7-9-19-32-23-27(22-30(33)31-17-10-8-11-18-31)28-21-26(15-16-29(28)32)25-14-12-13-24(2)20-25/h12-16,20-21,23H,3-11,17-19,22H2,1-2H3
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| InChIKey |
LHHXEINPIYQRHP-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