General Information of the Compound
| Compound ID |
CP0247754
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| Compound Name |
N-(3-hydroxy-2,2-dimethylpropyl)-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO
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| InChI |
InChI=1S/C23H24N4O3S/c1-23(2,13-28)12-25-22(29)19-9-16(11-31-19)15-8-18-21(24-10-15)27-20(26-18)14-4-6-17(30-3)7-5-14/h4-11,28H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)
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| InChIKey |
SSAAGCQGRIMQSH-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