General Information of the Compound
| Compound ID |
CP0548721
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| Compound Name |
US8912224, 196
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| Structure |
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| Formula |
C25H26N2O5S
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| Molecular Weight |
466.559
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| Canonical SMILES |
CCC(C)C(NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(O)=O
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| InChI |
InChI=1S/C25H26N2O5S/c1-3-15(2)22(24(29)30)27-23(28)21-14-26-25(33-21)31-18-10-12-20-17(13-18)9-11-19(32-20)16-7-5-4-6-8-16/h4-8,10,12-15,19,22H,3,9,11H2,1-2H3,(H,27,28)(H,29,30)/t15?,19-,22?/m0/s1
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| InChIKey |
BADYBKFLKYKHHJ-WDALLZDZSA-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