General Information of the Compound
| Compound ID |
CP0537459
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| Compound Name |
4-chloro-2-[5-methyl-2-(4-nitrophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]phenol
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| Structure |
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| Formula |
C16H14ClN3O5S
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| Molecular Weight |
395.824
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| Canonical SMILES |
CC1=NN(C(C1)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H14ClN3O5S/c1-10-8-15(14-9-11(17)2-7-16(14)21)19(18-10)26(24,25)13-5-3-12(4-6-13)20(22)23/h2-7,9,15,21H,8H2,1H3
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| InChIKey |
IGSMNYHPEKYRPJ-UHFFFAOYSA-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