General Information of the Compound
| Compound ID |
CP0548394
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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-propan-2-yl-1,2,5-oxadiazole-3-carboxamide
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| Structure |
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| Formula |
C24H27F5N8O3
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| Molecular Weight |
570.523
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| Canonical SMILES |
CC(C)c1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1cn2ncc(CN3C[C@H](NC3=O)C(F)(F)F)cc2n1
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| InChI |
InChI=1S/C24H27F5N8O3/c1-12(2)18-20(35-40-34-18)21(38)33-19(14-3-5-23(25,26)6-4-14)15-10-37-17(31-15)7-13(8-30-37)9-36-11-16(24(27,28)29)32-22(36)39/h7-8,10,12,14,16,19H,3-6,9,11H2,1-2H3,(H,32,39)(H,33,38)/t16-,19-/m0/s1
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| InChIKey |
MLMTVMZWBBFCPF-LPHOPBHVSA-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