General Information of the Compound
| Compound ID |
CP0495532
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| Compound Name |
4-(1-benzylpiperidin-4-yl)oxy-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C26H29N5O3S
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| Molecular Weight |
491.617
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| Canonical SMILES |
CNC(=O)c1sc(nc1OC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C26H29N5O3S/c1-27-24(33)22-25(34-20-10-13-31(14-11-20)16-17-5-3-2-4-6-17)30-26(35-22)19-9-12-28-21(15-19)29-23(32)18-7-8-18/h2-6,9,12,15,18,20H,7-8,10-11,13-14,16H2,1H3,(H,27,33)(H,28,29,32)
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| InChIKey |
PRPWHGXEZKOGPD-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: PT00962, Glycogen synthase kinase-3 beta