General Information of the Compound
| Compound ID |
CP0445921
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| Compound Name |
3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C27H33F3N4
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| Molecular Weight |
470.583
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| Canonical SMILES |
Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n[nH]2)c1C
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| InChI |
InChI=1S/C27H33F3N4/c1-19-9-8-14-25(20(19)2)31-26-15-23(32-33-26)18-34(16-21-10-4-3-5-11-21)17-22-12-6-7-13-24(22)27(28,29)30/h6-9,12-15,21H,3-5,10-11,16-18H2,1-2H3,(H2,31,32,33)
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| InChIKey |
TUIABQQYYVTLCL-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