General Information of the Compound
| Compound ID |
CP0450073
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| Compound Name |
US8912224, 195
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| Structure |
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| Formula |
C25H24N2O5S
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| Molecular Weight |
464.543
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| Canonical SMILES |
OC(=O)C1(CCCC1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H24N2O5S/c28-22(27-25(23(29)30)12-4-5-13-25)21-15-26-24(33-21)31-18-9-11-20-17(14-18)8-10-19(32-20)16-6-2-1-3-7-16/h1-3,6-7,9,11,14-15,19H,4-5,8,10,12-13H2,(H,27,28)(H,29,30)/t19-/m0/s1
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| InChIKey |
GZBGGVQYFVEXDG-IBGZPJMESA-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