General Information of the Compound
| Compound ID |
CP0373511
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| Compound Name |
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C22H24F3N5O2
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| Molecular Weight |
447.461
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNCCN)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N5O2/c1-32-19-8-3-2-6-16(19)14-28-21(31)18-12-20(22(23,24)25)29-30(18)17-7-4-5-15(11-17)13-27-10-9-26/h2-8,11-12,27H,9-10,13-14,26H2,1H3,(H,28,31)
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| InChIKey |
NCAXMLPLIHPMQU-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