General Information of the Compound
| Compound ID |
CP0210306
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| Compound Name |
N-[3-[4-[6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]benzenesulfonamide
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| Structure |
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| Formula |
C29H29N5O2S2
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| Molecular Weight |
543.718
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNS(=O)(=O)c3ccccc3)c2)CC1
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| InChI |
InChI=1S/C29H29N5O2S2/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-24(37-20-23)6-5-11-30-38(35,36)25-7-3-2-4-8-25/h2-4,7-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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| InChIKey |
ZYTYSRROLBLFDK-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