General Information of the Compound
| Compound ID |
CP0506865
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| Compound Name |
US8912224, 226
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| Structure |
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| Formula |
C27H30N2O6S
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| Molecular Weight |
510.612
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| Canonical SMILES |
COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H30N2O6S/c1-16(2)13-20(24(30)26(32)33-3)29-25(31)23-15-28-27(36-23)34-19-10-12-22-18(14-19)9-11-21(35-22)17-7-5-4-6-8-17/h4-8,10,12,14-16,20-21,24,30H,9,11,13H2,1-3H3,(H,29,31)/t20-,21-,24+/m0/s1
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| InChIKey |
QUZWTDWUXSIEAR-AWRGLXIESA-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