General Information of the Compound
| Compound ID |
CP0450074
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| Compound Name |
US8912224, 233
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| Structure |
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| Formula |
C29H26N2O5S
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| Molecular Weight |
514.603
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| Canonical SMILES |
CC(Cc1ccccc1)(NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(O)=O
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| InChI |
InChI=1S/C29H26N2O5S/c1-29(27(33)34,17-19-8-4-2-5-9-19)31-26(32)25-18-30-28(37-25)35-22-13-15-24-21(16-22)12-14-23(36-24)20-10-6-3-7-11-20/h2-11,13,15-16,18,23H,12,14,17H2,1H3,(H,31,32)(H,33,34)/t23-,29?/m0/s1
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| InChIKey |
UHSJVEGLRQTHIT-QASNXKAYSA-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