General Information of the Compound
| Compound ID |
CP0551066
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| Compound Name |
US8912224, 148
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| Structure |
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| Formula |
C26H28N4O2S
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| Molecular Weight |
460.603
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| Canonical SMILES |
CC(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1cnn(C)c1C
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| InChI |
InChI=1S/C26H28N4O2S/c1-17(23-16-29-30(3)18(23)2)27-14-22-15-28-26(33-22)31-21-10-12-25-20(13-21)9-11-24(32-25)19-7-5-4-6-8-19/h4-8,10,12-13,15-17,24,27H,9,11,14H2,1-3H3
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| InChIKey |
GQIGWHHHEJVFLP-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