General Information of the Compound
| Compound ID |
CP0400674
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| Compound Name |
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
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| Structure |
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| Formula |
C28H35N3O
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| Molecular Weight |
429.608
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| Canonical SMILES |
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
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| InChI |
InChI=1S/C28H35N3O/c1-3-15-30(2)22-26-19-25-20-27(11-12-28(25)29-26)32-18-7-10-23-13-16-31(17-14-23)21-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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| InChIKey |
JIHVXAPKKMMRTK-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