General Information of the Compound
| Compound ID |
CP0458521
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| Compound Name |
US10058534, 1
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| Structure |
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| Formula |
C23H18O5S
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| Molecular Weight |
406.459
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| Canonical SMILES |
OC(=O)CCc1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C23H18O5S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-2,4-11,13,24-25H,3,12H2,(H,26,27)
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| InChIKey |
NBMKTCICIYWVMJ-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