General Information of the Compound
| Compound ID |
CP0162801
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| Compound Name |
3-(5-(3-(3-chlorophenoxy)prop-1-ynyl)thiophen-3-yl)-6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C29H27ClN4OS
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| Molecular Weight |
515.082
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccc(Cl)c3)c2)CC1
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| InChI |
InChI=1S/C29H27ClN4OS/c1-33-9-11-34(12-10-33)18-20-7-8-26-21(14-20)16-27-28(31-32-29(26)27)22-15-25(36-19-22)6-3-13-35-24-5-2-4-23(30)17-24/h2,4-5,7-8,14-15,17,19H,9-13,16,18H2,1H3,(H,31,32)
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| InChIKey |
ISTDZFSLGBFOSM-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