General Information of the Compound
| Compound ID |
CP0464609
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| Compound Name |
(R)-2-Methyl-4-(4-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C18H20F3N5O
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| Molecular Weight |
379.386
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Nc1ccc(cc1)C(F)(F)F)c1nnccc1C
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| InChI |
InChI=1S/C18H20F3N5O/c1-12-7-8-22-24-16(12)25-9-10-26(13(2)11-25)17(27)23-15-5-3-14(4-6-15)18(19,20)21/h3-8,13H,9-11H2,1-2H3,(H,23,27)/t13-/m1/s1
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| InChIKey |
XJSPKGRVJLLZPU-CYBMUJFWSA-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