General Information of the Compound
| Compound ID |
CP0349316
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H30FN5O3S
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| Molecular Weight |
523.634
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2F)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H30FN5O3S/c1-29-25(35)23-26(32-27(37-23)19-8-11-30-22(14-19)31-24(34)18-6-7-18)36-16-17-9-12-33(13-10-17)15-20-4-2-3-5-21(20)28/h2-5,8,11,14,17-18H,6-7,9-10,12-13,15-16H2,1H3,(H,29,35)(H,30,31,34)
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| InChIKey |
BDUXOMBAFKYZLK-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