General Information of the Compound
| Compound ID |
CP0568038
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| Compound Name |
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-b]pyridazin-6-yl)pyridin-2-yl]ethyl]urea
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| Formula |
C23H23F9N6O3
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| Molecular Weight |
602.458
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| Canonical SMILES |
CCN(C(c1cc(c(OC)cn1)-c1cc(OC)c2nccn2n1)C(F)(F)F)C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H23F9N6O3/c1-4-37(20(39)35-17(22(27,28)29)5-6-21(24,25)26)18(23(30,31)32)14-9-12(16(41-3)11-34-14)13-10-15(40-2)19-33-7-8-38(19)36-13/h7-11,17-18H,4-6H2,1-3H3,(H,35,39)/t17-,18?/m0/s1
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| InChIKey |
OIDIFRVDOSYDEZ-ZENAZSQFSA-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