General Information of the Compound
Compound ID |
CP0423552
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Compound Name |
3-cyclopropyl-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]-1,2-oxazole-4-carboxamide
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Structure |
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Formula |
C27H30F5N7O4
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Molecular Weight |
611.572
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Canonical SMILES |
COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1conc1C1CC1)C1CCC(F)(F)CC1
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InChI |
InChI=1S/C27H30F5N7O4/c1-42-13-19(38-11-20(27(30,31)32)35-25(38)41)16-8-21-34-18(10-39(21)33-9-16)23(15-4-6-26(28,29)7-5-15)36-24(40)17-12-43-37-22(17)14-2-3-14/h8-10,12,14-15,19-20,23H,2-7,11,13H2,1H3,(H,35,41)(H,36,40)/t19-,20+,23+/m1/s1
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InChIKey |
FWPJGSPAOYAOTA-QTEQDKRBSA-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