General Information of the Compound
| Compound ID |
CP0546232
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| Compound Name |
5-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-propan-2-ylpyridin-2-one
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCNCC1
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| InChI |
InChI=1S/C20H24N4O/c1-13(2)24-12-15(3-4-19(24)25)16-7-10-22-20-17(16)11-18(23-20)14-5-8-21-9-6-14/h3-4,7,10-14,21H,5-6,8-9H2,1-2H3,(H,22,23)
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| InChIKey |
QWRPEBKULCXVPH-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