General Information of the Compound
| Compound ID |
CP0429968
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| Compound Name |
5-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylimidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C21H19F3N8O2S
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| Molecular Weight |
504.498
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| Canonical SMILES |
Nc1ncc(cc1C(F)(F)F)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C21H19F3N8O2S/c22-21(23,24)15-11-14(12-28-20(15)25)16-4-5-18-27-13-19(32(18)29-16)35(33,34)31-9-7-30(8-10-31)17-3-1-2-6-26-17/h1-6,11-13H,7-10H2,(H2,25,28)
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| InChIKey |
VSLQQWXSLOXVCZ-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