General Information of the Compound
| Compound ID |
CP0225242
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C27H30FN5O3S
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| Molecular Weight |
523.634
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC1CCN(Cc2cccc(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H30FN5O3S/c28-21-3-1-2-18(14-21)16-33-11-7-17(8-12-33)9-13-36-26-23(24(29)34)37-27(32-26)20-6-10-30-22(15-20)31-25(35)19-4-5-19/h1-3,6,10,14-15,17,19H,4-5,7-9,11-13,16H2,(H2,29,34)(H,30,31,35)
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| InChIKey |
MBGOHKNDGDEIAS-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