General Information of the Compound
| Compound ID |
CP0577983
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| Compound Name |
6-fluoro-5-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
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| Structure |
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| Formula |
C25H23F2N5
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| Molecular Weight |
431.49
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)c(F)c1
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| InChI |
InChI=1S/C25H23F2N5/c1-30-14-18(12-29-30)17-5-6-22(21(27)11-17)31-9-7-16(8-10-31)25-24-19(3-2-4-20(24)26)23-13-28-15-32(23)25/h2-6,11-16,25H,7-10H2,1H3
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| InChIKey |
BOPDNMINCZXPFG-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