General Information of the Compound
| Compound ID |
CP0483865
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| Compound Name |
4-[3-(1-benzylpiperidin-4-yl)propoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H33N5O3S
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| Molecular Weight |
519.671
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C28H33N5O3S/c29-25(34)24-27(32-28(37-24)22-10-13-30-23(17-22)31-26(35)21-8-9-21)36-16-4-7-19-11-14-33(15-12-19)18-20-5-2-1-3-6-20/h1-3,5-6,10,13,17,19,21H,4,7-9,11-12,14-16,18H2,(H2,29,34)(H,30,31,35)
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| InChIKey |
ZUWQNIVETLIDSE-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