General Information of the Compound
| Compound ID |
CP0546400
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| Compound Name |
(4-phenylmethoxyphenyl) N-anilino-N-(4-chlorophenyl)sulfonylcarbamate
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| Formula |
C26H21ClN2O5S
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| Molecular Weight |
508.983
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H21ClN2O5S/c27-21-11-17-25(18-12-21)35(31,32)29(28-22-9-5-2-6-10-22)26(30)34-24-15-13-23(14-16-24)33-19-20-7-3-1-4-8-20/h1-18,28H,19H2
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| InChIKey |
JTRIZQWMYZHDES-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
Protein ID: PT05838, Prostaglandin E synthase
Protein ID: PT02025, Prostaglandin E synthase