General Information of the Compound
| Compound ID |
CP0440859
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| Compound Name |
N-[(5-methylpyrazin-2-yl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C23H22F3N7O2
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| Molecular Weight |
485.47
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| Canonical SMILES |
Cc1cnc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cn1
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| InChI |
InChI=1S/C23H22F3N7O2/c1-15-12-28-16(13-27-15)14-29-21(34)19-6-7-20(31-30-19)32-8-10-33(11-9-32)22(35)17-4-2-3-5-18(17)23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H,29,34)
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| InChIKey |
JSKCBBJNQMKSTI-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