General Information of the Compound
| Compound ID |
CP0172746
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| Compound Name |
6-((4-methylpiperazin-1-yl)methyl)-3-(5-(pent-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C25H28N4S
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| Molecular Weight |
416.594
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| Canonical SMILES |
CCCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
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| InChI |
InChI=1S/C25H28N4S/c1-3-4-5-6-21-14-20(17-30-21)24-23-15-19-13-18(7-8-22(19)25(23)27-26-24)16-29-11-9-28(2)10-12-29/h7-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,26,27)
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| InChIKey |
UGWHGJOPTDAWEZ-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