General Information of the Compound
| Compound ID |
CP0377915
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| Compound Name |
4-(6-Chloro-4-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C17H17ClF3N5O
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| Molecular Weight |
399.804
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| Canonical SMILES |
Cc1cc(Cl)nnc1N1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H17ClF3N5O/c1-11-10-14(18)23-24-15(11)25-6-8-26(9-7-25)16(27)22-13-4-2-12(3-5-13)17(19,20)21/h2-5,10H,6-9H2,1H3,(H,22,27)
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| InChIKey |
YZCHKGKISUDFKB-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