General Information of the Compound
| Compound ID |
CP0328082
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| Compound Name |
5-(2-methoxyethyl)-1-methyl-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C20H27N5O3
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| Molecular Weight |
385.468
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| Canonical SMILES |
COCCN1CCc2c(cc(-c3ccnc(NC4CCOCC4)n3)n2C)C1=O
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| InChI |
InChI=1S/C20H27N5O3/c1-24-17-4-8-25(9-12-27-2)19(26)15(17)13-18(24)16-3-7-21-20(23-16)22-14-5-10-28-11-6-14/h3,7,13-14H,4-6,8-12H2,1-2H3,(H,21,22,23)
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| InChIKey |
IYQJTXLMTJOORF-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