General Information of the Compound
| Compound ID |
CP0444805
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| Compound Name |
6-fluoro-5-[1-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
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| Structure |
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| Formula |
C23H22FN7
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| Molecular Weight |
415.476
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc(nc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
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| InChI |
InChI=1S/C23H22FN7/c1-29-13-17(11-28-29)16-9-26-23(27-10-16)30-7-5-15(6-8-30)22-21-18(3-2-4-19(21)24)20-12-25-14-31(20)22/h2-4,9-15,22H,5-8H2,1H3
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| InChIKey |
CXWRSQDVQMEABQ-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