General Information of the Compound
| Compound ID |
CP0172756
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| Compound Name |
3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl)-7-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C26H30N4O2S
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| Molecular Weight |
462.619
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| Canonical SMILES |
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21
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| InChI |
InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-20-16-24-25(27-28-26(24)23(20)14-19)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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| InChIKey |
BFOAUCMLYYUSJH-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