General Information of the Compound
| Compound ID |
CP0563241
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| Compound Name |
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propan-2-ylbenzoic acid
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| Structure |
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| Formula |
C23H20N2O2
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| Molecular Weight |
356.425
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| Canonical SMILES |
CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C23H20N2O2/c1-14(2)19-10-16(8-9-18(19)23(26)27)21-13-25-22-20(21)11-17(12-24-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
SQQCNWHVXWEWKZ-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