General Information of the Compound
| Compound ID |
CP0268946
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| Compound Name |
6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1-ynyl)-thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C26H19N5OS
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| Molecular Weight |
449.539
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| Canonical SMILES |
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
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| InChI |
InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-10-4-7-22-12-20(15-33-22)25-24-13-19-11-18(14-31-17-27-16-28-31)8-9-23(19)26(24)30-29-25/h1-3,5-6,8-9,11-12,15-17H,10,13-14H2,(H,29,30)
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| InChIKey |
FYAAXXKZZZOCHM-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2