General Information of the Compound
| Compound ID |
CP0274102
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H32FN5O3S
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| Molecular Weight |
537.661
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCCC1CCN(Cc2cccc(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C28H32FN5O3S/c29-22-5-1-3-19(15-22)17-34-12-9-18(10-13-34)4-2-14-37-27-24(25(30)35)38-28(33-27)21-8-11-31-23(16-21)32-26(36)20-6-7-20/h1,3,5,8,11,15-16,18,20H,2,4,6-7,9-10,12-14,17H2,(H2,30,35)(H,31,32,36)
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| InChIKey |
IWBHCAPYMPYPRE-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