General Information of the Compound
| Compound ID |
CP0538577
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H26F3N5O2
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| Molecular Weight |
461.488
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N5O2/c1-27-10-11-28-14-16-6-5-8-18(12-16)31-19(13-21(30-31)23(24,25)26)22(32)29-15-17-7-3-4-9-20(17)33-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
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| InChIKey |
CYIZQJGLXPBOFM-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