General Information of the Compound
| Compound ID |
CP0551467
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| Compound Name |
1-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
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| Structure |
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| Formula |
C21H17Cl4FN4O3S2
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| Molecular Weight |
598.336
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| Canonical SMILES |
F\C(CNC(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C21H17Cl4FN4O3S2/c22-13-5-4-12(15(23)6-13)10-30-19-11(8-28-30)2-1-3-14(19)17(26)9-27-21(31)29-35(32,33)18-7-16(24)20(25)34-18/h4-8H,1-3,9-10H2,(H2,27,29,31)/b17-14-
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| InChIKey |
CBVZXYPCVKQUFI-VKAVYKQESA-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