General Information of the Compound
Compound ID |
CP0577149
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Compound Name |
N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(trifluoromethyl)-1,2,5-oxadiazole-3-carboxamide
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Structure |
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Formula |
C22H20F8N8O3
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Molecular Weight |
596.439
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Canonical SMILES |
FC(F)(F)[C@@H]1CN(Cc2cnn3cc(nc3c2)[C@@H](NC(=O)c2nonc2C(F)(F)F)C2CCC(F)(F)CC2)C(=O)N1
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InChI |
InChI=1S/C22H20F8N8O3/c23-20(24)3-1-11(2-4-20)15(34-18(39)16-17(22(28,29)30)36-41-35-16)12-8-38-14(32-12)5-10(6-31-38)7-37-9-13(21(25,26)27)33-19(37)40/h5-6,8,11,13,15H,1-4,7,9H2,(H,33,40)(H,34,39)/t13-,15-/m0/s1
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InChIKey |
SZYMLIREAQIFIF-ZFWWWQNUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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