General Information of the Compound
| Compound ID |
CP0440502
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| Compound Name |
5-methyl-4-phenyl-1-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)-1H-imidazol-2(3H)-one
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| Structure |
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| Formula |
C27H27F3N4O
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| Molecular Weight |
480.534
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| Canonical SMILES |
Cc1c([nH]c(=O)n1C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)-c1ccccc1
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| InChI |
InChI=1S/C27H27F3N4O/c1-19-25(21-5-3-2-4-6-21)31-26(35)34(19)24-12-14-32(15-13-24)17-20-11-16-33(18-20)23-9-7-22(8-10-23)27(28,29)30/h2-11,16,18,24H,12-15,17H2,1H3,(H,31,35)
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| InChIKey |
VIJNCDUDLOASFU-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