General Information of the Compound
| Compound ID |
CP0251448
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| Compound Name |
4-[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]ethoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H30ClN5O3S
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| Molecular Weight |
540.089
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccc2Cl)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H30ClN5O3S/c28-21-4-2-1-3-20(21)16-33-12-8-17(9-13-33)10-14-36-26-23(24(29)34)37-27(32-26)19-7-11-30-22(15-19)31-25(35)18-5-6-18/h1-4,7,11,15,17-18H,5-6,8-10,12-14,16H2,(H2,29,34)(H,30,31,35)
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| InChIKey |
ULSOYUGFFFZGBY-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