General Information of the Compound
| Compound ID |
CP0551466
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| Compound Name |
1-(4-chlorophenyl)sulfonyl-3-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C23H21Cl3N4O3S
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| Molecular Weight |
539.872
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)NC(=O)NC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C23H21Cl3N4O3S/c24-18-6-8-20(9-7-18)34(32,33)29-23(31)27-11-10-15-2-1-3-16-13-28-30(22(15)16)14-17-4-5-19(25)12-21(17)26/h4-10,12-13H,1-3,11,14H2,(H2,27,29,31)/b15-10+
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| InChIKey |
SMTOYENNQLJQPQ-XNTDXEJSSA-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