General Information of the Compound
| Compound ID |
CP0140788
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| Compound Name |
4-[2-(1-benzylpiperidin-4-yl)ethoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H31N5O3S
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| Molecular Weight |
505.644
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H31N5O3S/c28-24(33)23-26(31-27(36-23)21-8-12-29-22(16-21)30-25(34)20-6-7-20)35-15-11-18-9-13-32(14-10-18)17-19-4-2-1-3-5-19/h1-5,8,12,16,18,20H,6-7,9-11,13-15,17H2,(H2,28,33)(H,29,30,34)
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| InChIKey |
YWWSWOHOMIZEMH-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