General Information of the Compound
| Compound ID |
CP0085671
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| Compound Name |
1-methyl-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C17H21N5O2
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| Molecular Weight |
327.388
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| Canonical SMILES |
Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
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| InChI |
InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
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| InChIKey |
XLVHYPYVZHGWNO-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