General Information of the Compound
| Compound ID |
CP0436953
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| Compound Name |
3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)-1-methyl-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C28H35F3N4
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| Molecular Weight |
484.61
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| Canonical SMILES |
Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)nn2C)c1C
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| InChI |
InChI=1S/C28H35F3N4/c1-20-10-9-15-26(21(20)2)32-27-16-24(33-34(27)3)19-35(17-22-11-5-4-6-12-22)18-23-13-7-8-14-25(23)28(29,30)31/h7-10,13-16,22,32H,4-6,11-12,17-19H2,1-3H3
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| InChIKey |
TVKMIHZXEKOHEV-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