General Information of the Compound
| Compound ID |
CP0573452
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| Compound Name |
1-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]-3-thiophen-2-ylsulfonylurea
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| Structure |
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| Formula |
C21H20Cl2N4O3S2
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| Molecular Weight |
511.456
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| Canonical SMILES |
Clc1ccc(Cn2ncc3CCC\C(=C/CNC(=O)NS(=O)(=O)c4cccs4)c23)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl2N4O3S2/c22-17-7-6-16(18(23)11-17)13-27-20-14(3-1-4-15(20)12-25-27)8-9-24-21(28)26-32(29,30)19-5-2-10-31-19/h2,5-8,10-12H,1,3-4,9,13H2,(H2,24,26,28)/b14-8+
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| InChIKey |
YZLMIPLGBIOZGN-RIYZIHGNSA-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