General Information of the Compound
| Compound ID |
CP0454370
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| Compound Name |
5-(4-((diethylamino)methyl)phenethyl)-4-oxo-N-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C27H30F3N5O2
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| Molecular Weight |
513.564
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| Canonical SMILES |
CCN(CC)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H30F3N5O2/c1-3-33(4-2)18-20-7-5-19(6-8-20)13-14-34-15-16-35-24(26(34)37)17-23(32-35)25(36)31-22-11-9-21(10-12-22)27(28,29)30/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,31,36)
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| InChIKey |
AYEUJANLKLIQES-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