General Information of the Compound
| Compound ID |
CP0479926
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H25F6N5O2
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| Molecular Weight |
529.485
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| Canonical SMILES |
CNCCNCc1cc(cc(c1)C(F)(F)F)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C24H25F6N5O2/c1-31-7-8-32-13-15-9-17(23(25,26)27)11-18(10-15)35-19(12-21(34-35)24(28,29)30)22(36)33-14-16-5-3-4-6-20(16)37-2/h3-6,9-12,31-32H,7-8,13-14H2,1-2H3,(H,33,36)
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| InChIKey |
UQRTWHYVLZPZCE-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