General Information of the Compound
| Compound ID |
CP0546883
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| Compound Name |
US8912224, 222
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| Structure |
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| Formula |
C26H24N2O5S
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| Molecular Weight |
476.554
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| Canonical SMILES |
COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H24N2O5S/c1-31-25(30)23-19-12-17(19)14-28(23)24(29)22-13-27-26(34-22)32-18-8-10-21-16(11-18)7-9-20(33-21)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,19-20,23H,7,9,12,14H2,1H3/t17-,19-,20+,23+/m1/s1
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| InChIKey |
OHGICKPCBNMGTE-DBBLALLESA-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