General Information of the Compound
| Compound ID |
CP0210300
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| Compound Name |
6-(2-methoxyethoxy)-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 |
C26H22N2O3S
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| Molecular Weight |
442.54
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| Canonical SMILES |
COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
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| InChI |
InChI=1S/C26H22N2O3S/c1-29-12-13-31-21-9-10-23-18(14-21)16-24-25(27-28-26(23)24)19-15-22(32-17-19)8-5-11-30-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-15,17H,11-13,16H2,1H3,(H,27,28)
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| InChIKey |
CTPJMBYPSFIMAN-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