General Information of the Compound
| Compound ID |
CP0827343
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| Compound Name |
6-[4-(4-Fluorobenzyl)piperazin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C17H18F4N6
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| Molecular Weight |
382.365
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| Canonical SMILES |
Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1
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| InChI |
InChI=1S/C17H18F4N6/c18-13-3-1-12(2-4-13)11-25-7-9-26(10-8-25)15-6-5-14-22-23-16(17(19,20)21)27(14)24-15/h1-4H,5-11H2
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| InChIKey |
INIIDTFMHZRHDG-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