General Information of the Compound
| Compound ID |
CP0498496
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| Compound Name |
4-(6-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C17H18F3N5O
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| Molecular Weight |
365.359
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| Canonical SMILES |
Cc1ccc(nn1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N5O/c1-12-2-7-15(23-22-12)24-8-10-25(11-9-24)16(26)21-14-5-3-13(4-6-14)17(18,19)20/h2-7H,8-11H2,1H3,(H,21,26)
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| InChIKey |
YKTVXTTWHVHCSU-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