General Information of the Compound
| Compound ID |
CP0039562
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| Compound Name |
7-(3-(2-fluoropyridin-3-yl)phenyl)-2,2-dimethyl-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 |
C25H21F4N5O
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| Molecular Weight |
483.469
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| Canonical SMILES |
CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C25H21F4N5O/c1-23(2)14-34-21(32-23)24(33-22(34)30,16-8-10-18(11-9-16)35-25(27,28)29)17-6-3-5-15(13-17)19-7-4-12-31-20(19)26/h3-13H,14H2,1-2H3,(H2,30,33)
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| InChIKey |
TVENQKPJIUJCEH-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