General Information of the Compound
| Compound ID |
CP0572977
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| Compound Name |
1-propan-2-yl-5-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C25H28N4OS
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| Molecular Weight |
432.593
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| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(Cc2cccs2)CC1
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| InChI |
InChI=1S/C25H28N4OS/c1-17(2)29-15-19(5-6-24(29)30)21-7-10-26-25-22(21)14-23(27-25)18-8-11-28(12-9-18)16-20-4-3-13-31-20/h3-7,10,13-15,17-18H,8-9,11-12,16H2,1-2H3,(H,26,27)
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| InChIKey |
BDJMWQPLSCHDKJ-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