General Information of the Compound
| Compound ID |
CP0558215
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-4-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H30N6O5S
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| Molecular Weight |
550.641
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H30N6O5S/c1-28-25(35)23-26(31-27(39-23)20-7-10-29-22(14-20)30-24(34)19-5-6-19)38-16-17-8-11-32(12-9-17)15-18-3-2-4-21(13-18)33(36)37/h2-4,7,10,13-14,17,19H,5-6,8-9,11-12,15-16H2,1H3,(H,28,35)(H,29,30,34)
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| InChIKey |
SGPWCCRYWGDWPY-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