General Information of the Compound
| Compound ID |
CP0505504
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| Compound Name |
(R)-2-Methyl-4-(5-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)c1cc(C)cnn1
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| InChI |
InChI=1S/C18H20F3N5O/c1-12-9-16(24-22-10-12)25-7-8-26(13(2)11-25)17(27)23-15-5-3-14(4-6-15)18(19,20)21/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,23,27)/t13-/m1/s1
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| InChIKey |
XYRANXGHUVAMLF-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