General Information of the Compound
| Compound ID |
CP0447507
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-2-[4-methyl-3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H28F3N5O2
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| Molecular Weight |
475.515
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| Canonical SMILES |
CNCCNCc1cc(ccc1C)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N5O2/c1-16-8-9-19(12-18(16)14-29-11-10-28-2)32-20(13-22(31-32)24(25,26)27)23(33)30-15-17-6-4-5-7-21(17)34-3/h4-9,12-13,28-29H,10-11,14-15H2,1-3H3,(H,30,33)
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| InChIKey |
WTCATQDTNBNAPE-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