General Information of the Compound
| Compound ID |
CP0187938
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| Compound Name |
US8889672, 252-036-001
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| Synonyms |
BDBM139472
CHEMBL2393427
SCHEMBL13837647
US8889672, 252-036-001
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| Structure |
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| Formula |
C20H19NO4S
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| Molecular Weight |
369.442
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| Canonical SMILES |
COc1ccc(cc1OC)-c1csc(N)c1C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C20H19NO4S/c1-23-16-9-8-14(10-17(16)24-2)15-12-26-19(21)18(15)20(22)25-11-13-6-4-3-5-7-13/h3-10,12H,11,21H2,1-2H3
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| InChIKey |
DXFCCKZJJXVRFH-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
Clinical Information about the Compound