General Information of the Compound
| Compound ID |
CP0558303
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| Compound Name |
6-fluoro-5-[1-[3-methyl-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 |
C26H26FN5
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| Molecular Weight |
427.527
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| Canonical SMILES |
Cc1cc(ccc1-c1cnn(C)c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
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| InChI |
InChI=1S/C26H26FN5/c1-17-12-20(6-7-21(17)19-13-29-30(2)15-19)31-10-8-18(9-11-31)26-25-22(4-3-5-23(25)27)24-14-28-16-32(24)26/h3-7,12-16,18,26H,8-11H2,1-2H3
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| InChIKey |
ILDDTQOAULOQBC-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