General Information of the Compound
Compound ID |
CP0522009
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Compound Name |
3,3,3-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methyl)-N-propylpropan-1-amine
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Structure |
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Formula |
C23H30F6N4
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Molecular Weight |
476.509
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Canonical SMILES |
CCCN(CCC(F)(F)F)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
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InChI |
InChI=1S/C23H30F6N4/c1-5-8-31(11-7-22(24,25)26)14-18-20(23(27,28)29)30-21-32(18)9-6-10-33(21)19-16(3)12-15(2)13-17(19)4/h12-13H,5-11,14H2,1-4H3
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InChIKey |
CACXETVRFTWKFR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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