General Information of the Compound
| Compound ID |
CP0447411
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| Compound Name |
2,2,2-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methyl)-N-phenethylethanamine
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| Structure |
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| Formula |
C27H30F6N4
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| Molecular Weight |
524.553
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| Canonical SMILES |
Cc1cc(C)c(N2CCCn3c(CN(CCc4ccccc4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C27H30F6N4/c1-18-14-19(2)23(20(3)15-18)37-12-7-11-36-22(24(27(31,32)33)34-25(36)37)16-35(17-26(28,29)30)13-10-21-8-5-4-6-9-21/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3
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| InChIKey |
VBKRICBNLHQYSB-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