General Information of the Compound
| Compound ID |
CP0396140
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| Compound Name |
[2-chloro-4-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl] sulfamate
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| Structure |
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| Formula |
C17H10ClF2NO5S2
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| Molecular Weight |
445.852
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
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| InChI |
InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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| InChIKey |
NYRRMMAJLKJMFG-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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Protein ID: PT01689, Steryl-sulfatase