General Information of the Compound
| Compound ID |
CP0549163
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| Compound Name |
US8912224, 187
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| Structure |
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| Formula |
C26H26N2O5S
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| Molecular Weight |
478.57
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| Canonical SMILES |
COC(=O)C1(CCCC1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H26N2O5S/c1-31-24(30)26(13-5-6-14-26)28-23(29)22-16-27-25(34-22)32-19-10-12-21-18(15-19)9-11-20(33-21)17-7-3-2-4-8-17/h2-4,7-8,10,12,15-16,20H,5-6,9,11,13-14H2,1H3,(H,28,29)/t20-/m0/s1
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| InChIKey |
RRLJFKDGLUDBFP-FQEVSTJZSA-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