General Information of the Compound
| Compound ID |
CP0548722
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| Compound Name |
US8912224, 231
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| Structure |
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| Formula |
C27H30N2O5S
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| Molecular Weight |
494.613
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| Canonical SMILES |
COC(=O)C(C)(CC(C)C)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H30N2O5S/c1-17(2)15-27(3,25(31)32-4)29-24(30)23-16-28-26(35-23)33-20-11-13-22-19(14-20)10-12-21(34-22)18-8-6-5-7-9-18/h5-9,11,13-14,16-17,21H,10,12,15H2,1-4H3,(H,29,30)/t21-,27?/m0/s1
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| InChIKey |
LVCXSSFFANPGKI-LWAJAQLZSA-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