General Information of the Compound
| Compound ID |
CP0696991
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| Compound Name |
rac-8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
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| Structure |
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| Formula |
C24H19F4N5O
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| Molecular Weight |
469.442
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| Canonical SMILES |
NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
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| InChI |
InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)
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| InChIKey |
OPSMDCTXTURNQW-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