General Information of the Compound
| Compound ID |
CP0574263
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| Compound Name |
1-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
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| Structure |
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| Formula |
C21H18Cl4N4O3S2
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| Molecular Weight |
580.346
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| Canonical SMILES |
Clc1cc(sc1Cl)S(=O)(=O)NC(=O)NC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C21H18Cl4N4O3S2/c22-15-5-4-14(16(23)8-15)11-29-19-12(2-1-3-13(19)10-27-29)6-7-26-21(30)28-34(31,32)18-9-17(24)20(25)33-18/h4-6,8-10H,1-3,7,11H2,(H2,26,28,30)/b12-6+
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| InChIKey |
NFRSBXLHEUPMBI-WUXMJOGZSA-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