General Information of the Compound
| Compound ID |
CP0537217
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| Compound Name |
US8912224, 175
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| Structure |
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| Formula |
C25H27N3O4S
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| Molecular Weight |
465.575
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| Canonical SMILES |
O[C@@H]1CCN(CC(=O)NCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)C1
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| InChI |
InChI=1S/C25H27N3O4S/c29-19-10-11-28(15-19)16-24(30)26-13-21-14-27-25(33-21)31-20-7-9-23-18(12-20)6-8-22(32-23)17-4-2-1-3-5-17/h1-5,7,9,12,14,19,22,29H,6,8,10-11,13,15-16H2,(H,26,30)/t19-,22?/m1/s1
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| InChIKey |
UPALJIAPQUNCHR-LCQOSCCDSA-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