General Information of the Compound
| Compound ID |
CP0491301
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| Compound Name |
(5R)-5-[2-(4-fluorophenyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
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| Structure |
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| Formula |
C20H19FN2
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| Molecular Weight |
306.384
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccccc1[C@H]1CCCCc2cncn12
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| InChI |
InChI=1S/C20H19FN2/c21-16-11-9-15(10-12-16)18-6-2-3-7-19(18)20-8-4-1-5-17-13-22-14-23(17)20/h2-3,6-7,9-14,20H,1,4-5,8H2/t20-/m1/s1
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| InChIKey |
OQDPWIAWHSSXOA-HXUWFJFHSA-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