General Information of the Compound
| Compound ID |
CP0486511
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| Compound Name |
N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C18H19ClN4O3S
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| Molecular Weight |
406.895
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(O)cc1
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| InChI |
InChI=1S/C18H19ClN4O3S/c1-2-20-18(22-27(25,26)16-5-3-4-14(19)12-16)23-17(10-11-21-23)13-6-8-15(24)9-7-13/h3-9,11-12,17,24H,2,10H2,1H3,(H,20,22)
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| InChIKey |
DOOXYGPEZFIDOH-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