General Information of the Compound
| Compound ID |
CP0535768
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| Compound Name |
6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
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| Structure |
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| Formula |
C21H19F2N3
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| Molecular Weight |
351.4
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| Canonical SMILES |
Fc1cccc(c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
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| InChI |
InChI=1S/C21H19F2N3/c22-15-3-1-4-16(11-15)25-9-7-14(8-10-25)21-20-17(5-2-6-18(20)23)19-12-24-13-26(19)21/h1-6,11-14,21H,7-10H2
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| InChIKey |
IHRZDOLIIBFDBL-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