General Information of the Compound
| Compound ID |
CP0536410
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| Compound Name |
1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(2-methylbenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H26F3N5O
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| Molecular Weight |
445.489
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1C)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N5O/c1-16-6-3-4-8-18(16)15-29-22(32)20-13-21(23(24,25)26)30-31(20)19-9-5-7-17(12-19)14-28-11-10-27-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
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| InChIKey |
NNCCYRAADNQTKP-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