General Information of the Compound
| Compound ID |
CP0898234
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| Compound Name |
4-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]phenyl}-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
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| Structure |
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| Formula |
C25H30F3N7O3
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| Molecular Weight |
533.555
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| Canonical SMILES |
CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1
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| InChI |
InChI=1S/C25H30F3N7O3/c1-18(36)33-14-12-32(13-15-33)16-17-38-20-4-2-19(3-5-20)24(37)8-10-34(11-9-24)22-7-6-21-29-30-23(25(26,27)28)35(21)31-22/h2-7,37H,8-17H2,1H3
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| InChIKey |
LQCQUWQQYUOHAJ-UHFFFAOYSA-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