General Information of the Compound
| Compound ID |
CP0479925
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| Compound Name |
1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(naphthalen-1-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C26H26F3N5O
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| Molecular Weight |
481.522
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1cccc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N5O/c1-30-12-13-31-16-18-6-4-10-21(14-18)34-23(15-24(33-34)26(27,28)29)25(35)32-17-20-9-5-8-19-7-2-3-11-22(19)20/h2-11,14-15,30-31H,12-13,16-17H2,1H3,(H,32,35)
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| InChIKey |
VODCHRGJIRFVGV-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