General Information of the Compound
| Compound ID |
CP0292377
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| Compound Name |
2-(3-methyl-1-(4-nitrophenethylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)phenol
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| Structure |
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| Formula |
C18H19N3O5S
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| Molecular Weight |
389.433
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)S(=O)(=O)CCc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H19N3O5S/c1-13-12-17(16-4-2-3-5-18(16)22)20(19-13)27(25,26)11-10-14-6-8-15(9-7-14)21(23)24/h2-9,17,22H,10-12H2,1H3
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| InChIKey |
HMSFBHVDDUACRP-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