General Information of the Compound
| Compound ID |
CP0227760
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| Compound Name |
7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoromethoxy)phenyl)-3,7-dihydro-2H-imidazo[1,5-a]imidazol-5-amine
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| Structure |
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| Formula |
C23H17F4N5O
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| Molecular Weight |
455.415
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| Canonical SMILES |
NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31)
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| InChIKey |
ZASDNILYUCOUST-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