General Information of the Compound
| Compound ID |
CP0555330
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| Compound Name |
US8912224, 238
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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 |
CC(C)CC(CNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(O)=O
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| InChI |
InChI=1S/C26H28N2O5S/c1-16(2)12-19(25(30)31)14-27-24(29)23-15-28-26(34-23)32-20-9-11-22-18(13-20)8-10-21(33-22)17-6-4-3-5-7-17/h3-7,9,11,13,15-16,19,21H,8,10,12,14H2,1-2H3,(H,27,29)(H,30,31)/t19?,21-/m0/s1
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| InChIKey |
WMYRSDMXZXRGCJ-QWAKEFERSA-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