General Information of the Compound
| Compound ID |
CP0925213
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| Compound Name |
4-Pyridin-3-yl-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 |
C16H15F3N6O
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| Molecular Weight |
364.331
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| Canonical SMILES |
OC1(c2cccnc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
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| InChI |
InChI=1S/C16H15F3N6O/c17-16(18,19)14-22-21-12-3-4-13(23-25(12)14)24-8-5-15(26,6-9-24)11-2-1-7-20-10-11/h1-4,7,10,26H,5-6,8-9H2
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| InChIKey |
GEVVHUGVIJRPPF-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