General Information of the Compound
| Compound ID |
CP0572038
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| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2E)-2-[1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C21H17Cl2F3N4O3S2
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| Molecular Weight |
565.426
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ncc2CCC\C(=C/CNC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)c12
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| InChI |
InChI=1S/C21H17Cl2F3N4O3S2/c22-16-10-17(34-19(16)23)35(32,33)29-20(31)27-9-8-12-2-1-3-13-11-28-30(18(12)13)15-6-4-14(5-7-15)21(24,25)26/h4-8,10-11H,1-3,9H2,(H2,27,29,31)/b12-8+
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| InChIKey |
WBJIGSFXIGHYLJ-XYOKQWHBSA-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