General Information of the Compound
| Compound ID |
CP0274100
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| Compound Name |
4-[(1-benzylpiperidin-4-yl)methoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H31N5O3S
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| Molecular Weight |
505.644
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H31N5O3S/c1-28-25(34)23-26(35-17-19-10-13-32(14-11-19)16-18-5-3-2-4-6-18)31-27(36-23)21-9-12-29-22(15-21)30-24(33)20-7-8-20/h2-6,9,12,15,19-20H,7-8,10-11,13-14,16-17H2,1H3,(H,28,34)(H,29,30,33)
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| InChIKey |
OCIHMTSJSNPXID-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