General Information of the Compound
| Compound ID |
CP0551834
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| Compound Name |
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-7-thiophen-3-yl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H20N6OS
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| Molecular Weight |
428.521
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1
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| InChI |
InChI=1S/C23H20N6OS/c1-14(2)29-13-24-28-22(29)18-7-4-8-20(25-18)27-23(30)19-11-15-5-3-6-17(21(15)26-19)16-9-10-31-12-16/h3-14,26H,1-2H3,(H,25,27,30)
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| InChIKey |
LEERPYPMIWDZBT-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