General Information of the Compound
| Compound ID |
CP0536965
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| Compound Name |
US8912224, 230
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| Structure |
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| Formula |
C28H32N2O5S
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| Molecular Weight |
508.64
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| Canonical SMILES |
CCOC(=O)C(CNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)CC(C)C
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| InChI |
InChI=1S/C28H32N2O5S/c1-4-33-27(32)21(14-18(2)3)16-29-26(31)25-17-30-28(36-25)34-22-11-13-24-20(15-22)10-12-23(35-24)19-8-6-5-7-9-19/h5-9,11,13,15,17-18,21,23H,4,10,12,14,16H2,1-3H3,(H,29,31)/t21?,23-/m0/s1
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| InChIKey |
LSBLNCVJZCUBTM-YANBTOMASA-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