General Information of the Compound
| Compound ID |
CP0572037
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| Compound Name |
1-(5-chloro-2-methoxyphenyl)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 |
C24H22Cl3FN4O4S
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| Molecular Weight |
587.888
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| Canonical SMILES |
COc1ccc(Cl)cc1S(=O)(=O)NC(=O)NC\C(F)=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C24H22Cl3FN4O4S/c1-36-21-8-7-17(26)10-22(21)37(34,35)31-24(33)29-12-20(28)18-4-2-3-14-11-30-32(23(14)18)13-15-5-6-16(25)9-19(15)27/h5-11H,2-4,12-13H2,1H3,(H2,29,31,33)/b20-18-
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| InChIKey |
RRLFDFHEKNKNCQ-ZZEZOPTASA-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