General Information of the Compound
| Compound ID |
CP0500831
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| Compound Name |
6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C23H19F6N5O3
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| Molecular Weight |
527.425
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)o1
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| InChI |
InChI=1S/C23H19F6N5O3/c24-22(25,26)16-4-2-1-3-15(16)21(36)34-11-9-33(10-12-34)19-8-6-17(31-32-19)20(35)30-13-14-5-7-18(37-14)23(27,28)29/h1-8H,9-13H2,(H,30,35)
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| InChIKey |
DKACSJZPBDPRDC-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