General Information of the Compound
| Compound ID |
CP0386042
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| Compound Name |
6-(4-methylpiperazin-1-yl)-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 |
C28H26N4OS
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| Molecular Weight |
466.61
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| Canonical SMILES |
CN1CCN(CC1)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
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| InChI |
InChI=1S/C28H26N4OS/c1-31-11-13-32(14-12-31)22-9-10-25-20(16-22)18-26-27(29-30-28(25)26)21-17-24(34-19-21)8-5-15-33-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,29,30)
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| InChIKey |
FFBGHFCQJSJHIX-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