General Information of the Compound
| Compound ID |
CP0352701
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C26H30N6O3S
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| Molecular Weight |
506.632
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccn2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C26H30N6O3S/c27-23(33)22-25(31-26(36-22)19-6-11-29-21(15-19)30-24(34)18-4-5-18)35-14-9-17-7-12-32(13-8-17)16-20-3-1-2-10-28-20/h1-3,6,10-11,15,17-18H,4-5,7-9,12-14,16H2,(H2,27,33)(H,29,30,34)
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| InChIKey |
NPKLPPFDSUXDBQ-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