General Information of the Compound
| Compound ID |
CP0527167
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| Compound Name |
N-[(2-ethylphenyl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H28F3N5O
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| Molecular Weight |
459.516
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| Canonical SMILES |
CCc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNCCNC)c1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N5O/c1-3-18-8-4-5-9-19(18)16-30-23(33)21-14-22(24(25,26)27)31-32(21)20-10-6-7-17(13-20)15-29-12-11-28-2/h4-10,13-14,28-29H,3,11-12,15-16H2,1-2H3,(H,30,33)
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| InChIKey |
SPSXISCCCWERLI-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