General Information of the Compound
| Compound ID |
CP0567972
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| Compound Name |
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
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| Structure |
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| Formula |
C22H20Cl3FN4O3S2
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| Molecular Weight |
577.918
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| Canonical SMILES |
Cc1cc(sc1Cl)S(=O)(=O)NC(=O)NC\C(F)=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C22H20Cl3FN4O3S2/c1-12-7-19(34-21(12)25)35(32,33)29-22(31)27-10-18(26)16-4-2-3-13-9-28-30(20(13)16)11-14-5-6-15(23)8-17(14)24/h5-9H,2-4,10-11H2,1H3,(H2,27,29,31)/b18-16-
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| InChIKey |
FYUOIRIANAUUOH-VLGSPTGOSA-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