General Information of the Compound
| Compound ID |
CP0042169
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| Compound Name |
CHEBI:35847
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| Formula |
C14H9ClN2O3S
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| Molecular Weight |
320.757
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| Canonical SMILES |
NC(=O)N1C(=O)\C(=C(/O)c2cccs2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-
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| InChIKey |
LXIKEPCNDFVJKC-QXMHVHEDSA-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: PT01002, Cytochrome P450 1A2
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT00901, Prostaglandin G/H synthase 2