General Information of the Compound
| Compound ID |
CP0961250
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| Compound Name |
6-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H-indole-2-carboxamide
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| Formula |
C26H28N8O2
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| Molecular Weight |
484.564
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| Canonical SMILES |
CCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1
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| InChI |
InChI=1S/C26H28N8O2/c1-5-36-17(4)34-14-20(13-28-34)18-9-10-19-12-23(29-22(19)11-18)26(35)31-24-8-6-7-21(30-24)25-32-27-15-33(25)16(2)3/h6-17,29H,5H2,1-4H3,(H,30,31,35)
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| InChIKey |
HEURXYHRYWLVQH-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