General Information of the Compound
| Compound ID |
CP0039560
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| Compound Name |
(8R)-8-(3-Pyrimidin-5-ylphenyl)-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 |
C23H19F3N6O
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| Molecular Weight |
452.44
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| Canonical SMILES |
NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m1/s1
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| InChIKey |
FYQZYBSHWLRFKL-JOCHJYFZSA-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