General Information of the Compound
| Compound ID |
CP0537088
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| Compound Name |
US8912224, 189
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| Structure |
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| Formula |
C28H30N2O5S
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| Molecular Weight |
506.624
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| Canonical SMILES |
CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C28H30N2O5S/c1-2-33-27(32)21-10-6-7-11-22(21)30-26(31)25-17-29-28(36-25)34-20-13-15-24-19(16-20)12-14-23(35-24)18-8-4-3-5-9-18/h3-5,8-9,13,15-17,21-23H,2,6-7,10-12,14H2,1H3,(H,30,31)/t21-,22+,23+/m1/s1
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| InChIKey |
JBTNNVFUIXNXHB-VJBWXMMDSA-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