General Information of the Compound
| Compound ID |
CP0344465
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| Compound Name |
6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenylbut-1-ynyl)-thiophen-3-yl) -1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C30H30N4S
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| Molecular Weight |
478.665
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C30H30N4S/c1-33-13-15-34(16-14-33)20-23-11-12-27-24(17-23)19-28-29(31-32-30(27)28)25-18-26(35-21-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-12,17-18,21H,5,9,13-16,19-20H2,1H3,(H,31,32)
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| InChIKey |
IAUVKJCDBROOOZ-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