General Information of the Compound
| Compound ID |
CP0483864
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H29Cl2N5O3S
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| Molecular Weight |
574.534
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H29Cl2N5O3S/c1-30-25(36)23-26(33-27(38-23)19-6-9-31-22(13-19)32-24(35)18-3-4-18)37-15-16-7-10-34(11-8-16)14-17-2-5-20(28)21(29)12-17/h2,5-6,9,12-13,16,18H,3-4,7-8,10-11,14-15H2,1H3,(H,30,36)(H,31,32,35)
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| InChIKey |
IRJNAPGINGOASF-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