General Information of the Compound
| Compound ID |
CP0316053
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| Compound Name |
4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C18H16F3N7
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| Molecular Weight |
387.369
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| Canonical SMILES |
FC(F)(F)c1nnc2ccc(nn12)N1CCN(Cc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C18H16F3N7/c19-18(20,21)17-24-23-15-5-6-16(25-28(15)17)27-9-7-26(8-10-27)12-14-3-1-13(11-22)2-4-14/h1-6H,7-10,12H2
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| InChIKey |
WGKJEPNCSMEMQS-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