General Information of the Compound
| Compound ID |
CP0465303
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| Compound Name |
N-[(5-methylfuran-2-yl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C23H22F3N5O3
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| Molecular Weight |
473.455
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| Canonical SMILES |
Cc1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)o1
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| InChI |
InChI=1S/C23H22F3N5O3/c1-15-6-7-16(34-15)14-27-21(32)19-8-9-20(29-28-19)30-10-12-31(13-11-30)22(33)17-4-2-3-5-18(17)23(24,25)26/h2-9H,10-14H2,1H3,(H,27,32)
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| InChIKey |
CFQCWHCUFFJKDW-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