General Information of the Compound
| Compound ID |
CP0441703
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| Compound Name |
ethyl 5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
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| InChI |
InChI=1S/C26H32N2O3/c1-2-30-26(29)25-18-22-17-23(10-11-24(22)27-25)31-16-6-9-20-12-14-28(15-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,20,27H,2,6,9,12-16,19H2,1H3
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| InChIKey |
NBAHQYYCUNANCX-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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00826, Cholinesterase