General Information of the Compound
| Compound ID |
CP0537041
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| Compound Name |
US8912224, 200
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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 |
OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H26N2O5S/c29-24(28-20-9-5-4-8-19(20)25(30)31)23-15-27-26(34-23)32-18-11-13-22-17(14-18)10-12-21(33-22)16-6-2-1-3-7-16/h1-3,6-7,11,13-15,19-21H,4-5,8-10,12H2,(H,28,29)(H,30,31)/t19-,20+,21+/m1/s1
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| InChIKey |
HWKFYUHPTIOEKL-HKBOAZHASA-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