General Information of the Compound
| Compound ID |
CP0465299
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| Compound Name |
6-[4-[5-chloro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C22H23ClF3N5O2
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| Molecular Weight |
481.906
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
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| InChI |
InChI=1S/C22H23ClF3N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)
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| InChIKey |
XRUGFRWMDURAFZ-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