General Information of the Compound
| Compound ID |
CP0021160
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| Compound Name |
7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-methoxyethoxy)-prop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C23H21N5O2S
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| Molecular Weight |
431.521
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| Canonical SMILES |
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
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| InChI |
InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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| InChIKey |
UVNBMNWTGOQKQF-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