General Information of the Compound
| Compound ID |
CP0827344
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| Compound Name |
4-(4-Fluorophenyl)-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 |
C17H15F4N5O
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| Molecular Weight |
381.333
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| Canonical SMILES |
OC1(c2ccc(F)cc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
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| InChI |
InChI=1S/C17H15F4N5O/c18-12-3-1-11(2-4-12)16(27)7-9-25(10-8-16)14-6-5-13-22-23-15(17(19,20)21)26(13)24-14/h1-6,27H,7-10H2
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| InChIKey |
LXBUVEXDYQSGGZ-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