General Information of the Compound
| Compound ID |
CP0410647
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| Compound Name |
US8912224, 118
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| Structure |
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| Formula |
C23H26N2O2S
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| Molecular Weight |
394.54
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| Canonical SMILES |
CC(C)(C)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C23H26N2O2S/c1-23(2,3)25-15-19-14-24-22(28-19)26-18-10-12-21-17(13-18)9-11-20(27-21)16-7-5-4-6-8-16/h4-8,10,12-14,20,25H,9,11,15H2,1-3H3
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| InChIKey |
WZISEUFPOKKEFD-UHFFFAOYSA-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