General Information of the Compound
| Compound ID |
CP0441940
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| Compound Name |
US8912224, 138
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| Structure |
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| Formula |
C25H26N4O2S
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| Molecular Weight |
446.576
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| Canonical SMILES |
Cc1c(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)cnn1C
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| InChI |
InChI=1S/C25H26N4O2S/c1-17-20(14-28-29(17)2)13-26-15-22-16-27-25(32-22)30-21-9-11-24-19(12-21)8-10-23(31-24)18-6-4-3-5-7-18/h3-7,9,11-12,14,16,23,26H,8,10,13,15H2,1-2H3
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| InChIKey |
JLWMYKTWSAKLDI-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