General Information of the Compound
| Compound ID |
CP0574265
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| Compound Name |
1-(5-chloro-2-methoxyphenyl)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 |
C24H23Cl3N4O4S
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| Molecular Weight |
569.898
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| Canonical SMILES |
COc1ccc(Cl)cc1S(=O)(=O)NC(=O)NC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C24H23Cl3N4O4S/c1-35-21-8-7-19(26)12-22(21)36(33,34)30-24(32)28-10-9-15-3-2-4-16-13-29-31(23(15)16)14-17-5-6-18(25)11-20(17)27/h5-9,11-13H,2-4,10,14H2,1H3,(H2,28,30,32)/b15-9+
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| InChIKey |
OOZSWSPIBZKSHO-OQLLNIDSSA-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