General Information of the Compound
| Compound ID |
CP0463719
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| Compound Name |
1-(4-fluoro-3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H25F4N5O2
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| Molecular Weight |
479.478
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| Canonical SMILES |
CNCCNCc1cc(ccc1F)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C23H25F4N5O2/c1-28-9-10-29-13-16-11-17(7-8-18(16)24)32-19(12-21(31-32)23(25,26)27)22(33)30-14-15-5-3-4-6-20(15)34-2/h3-8,11-12,28-29H,9-10,13-14H2,1-2H3,(H,30,33)
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| InChIKey |
BWKYDBKPOJUVGC-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