General Information of the Compound
| Compound ID |
CP0552978
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| Compound Name |
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
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| Structure |
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| Formula |
C24H25F7N8O4
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| Molecular Weight |
622.502
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| Canonical SMILES |
COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1nonc1C(F)F)C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C24H25F7N8O4/c1-42-10-14(38-9-15(24(29,30)31)34-22(38)41)12-6-16-33-13(8-39(16)32-7-12)17(11-2-4-23(27,28)5-3-11)35-21(40)19-18(20(25)26)36-43-37-19/h6-8,11,14-15,17,20H,2-5,9-10H2,1H3,(H,34,41)(H,35,40)/t14-,15+,17+/m1/s1
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| InChIKey |
XIIADHFRZOYRQU-VYDXJSESSA-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