General Information of the Compound
| Compound ID |
CP0483866
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| Compound Name |
4-[(1-benzylpiperidin-4-yl)methoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-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 |
NC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C26H29N5O3S/c27-23(32)22-25(34-16-18-9-12-31(13-10-18)15-17-4-2-1-3-5-17)30-26(35-22)20-8-11-28-21(14-20)29-24(33)19-6-7-19/h1-5,8,11,14,18-19H,6-7,9-10,12-13,15-16H2,(H2,27,32)(H,28,29,33)
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| InChIKey |
WCUGNCQJDCCMLE-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