General Information of the Compound
| Compound ID |
CP0567973
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| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2Z)-2-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C22H18Cl2F4N4O3S2
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| Molecular Weight |
597.443
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| Canonical SMILES |
F\C(CNC(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1)=C1\CCCc2cnn(Cc3ccc(cc3)C(F)(F)F)c12
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| InChI |
InChI=1S/C22H18Cl2F4N4O3S2/c23-16-8-18(36-20(16)24)37(34,35)31-21(33)29-10-17(25)15-3-1-2-13-9-30-32(19(13)15)11-12-4-6-14(7-5-12)22(26,27)28/h4-9H,1-3,10-11H2,(H2,29,31,33)/b17-15-
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| InChIKey |
DFKICTCSFWHWMW-ICFOKQHNSA-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