General Information of the Compound
| Compound ID |
CP0156976
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| Compound Name |
US8889672, 317-052-004
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| Structure |
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| Formula |
C21H21NO5S
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| Molecular Weight |
399.468
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| Canonical SMILES |
COc1cccc(COC(=O)c2c(N)scc2-c2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C21H21NO5S/c1-24-15-6-4-5-13(9-15)11-27-21(23)19-16(12-28-20(19)22)14-7-8-17(25-2)18(10-14)26-3/h4-10,12H,11,22H2,1-3H3
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| InChIKey |
KUYKGKWALOSLME-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