General Information of the Compound
| Compound ID |
CP0575262
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| Compound Name |
5-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)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 |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1
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| InChI |
InChI=1S/C26H33N5O2/c1-18(2)31-16-20(5-6-24(31)32)21-7-10-27-26-22(21)15-23(28-26)19-8-13-29(14-9-19)17-25(33)30-11-3-4-12-30/h5-7,10,15-16,18-19H,3-4,8-9,11-14,17H2,1-2H3,(H,27,28)
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| InChIKey |
GNWQPICFCPORII-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