General Information of the Compound
| Compound ID |
CP0544103
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| Compound Name |
US8912224, 186
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| Structure |
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| Formula |
C26H28N2O5S
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| Molecular Weight |
480.586
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| Canonical SMILES |
CCOC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(C)C
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| InChI |
InChI=1S/C26H28N2O5S/c1-4-31-25(30)23(16(2)3)28-24(29)22-15-27-26(34-22)32-19-11-13-21-18(14-19)10-12-20(33-21)17-8-6-5-7-9-17/h5-9,11,13-16,20,23H,4,10,12H2,1-3H3,(H,28,29)/t20-,23-/m0/s1
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| InChIKey |
ZEVNSRZYKROBBT-REWPJTCUSA-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