General Information of the Compound
| Compound ID |
CP0454982
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| Compound Name |
3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1H-imidazol-2-one
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)-n2cc[nH]c2=O)c(C)c1
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| InChI |
InChI=1S/C22H22N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,23,29)
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| InChIKey |
RJRWNOIAPUDOLR-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