General Information of the Compound
| Compound ID |
CP0426182
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| Compound Name |
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C22H23F4N5O2
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| Molecular Weight |
465.451
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| Canonical SMILES |
Fc1cccc(C(=O)N2CCN(CC2)c2ccc(nn2)C(=O)NCCC2CC2)c1C(F)(F)F
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| InChI |
InChI=1S/C22H23F4N5O2/c23-16-3-1-2-15(19(16)22(24,25)26)21(33)31-12-10-30(11-13-31)18-7-6-17(28-29-18)20(32)27-9-8-14-4-5-14/h1-3,6-7,14H,4-5,8-13H2,(H,27,32)
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| InChIKey |
AHPITNKHMUCYLX-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