General Information of the Compound
| Compound ID |
CP0558272
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C27H29F2N5O3S
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| Molecular Weight |
541.624
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC1CCN(Cc2ccc(F)c(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C27H29F2N5O3S/c28-20-4-1-17(13-21(20)29)15-34-10-6-16(7-11-34)8-12-37-26-23(24(30)35)38-27(33-26)19-5-9-31-22(14-19)32-25(36)18-2-3-18/h1,4-5,9,13-14,16,18H,2-3,6-8,10-12,15H2,(H2,30,35)(H,31,32,36)
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| InChIKey |
DBLMNZBAOCBKEM-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