General Information of the Compound
| Compound ID |
CP0557615
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| Compound Name |
US8912224, 104
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| Structure |
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| Formula |
C23H24N2O2S
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| Molecular Weight |
392.524
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| Canonical SMILES |
C(N1CCCC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C23H24N2O2S/c1-2-6-17(7-3-1)21-10-8-18-14-19(9-11-22(18)27-21)26-23-24-15-20(28-23)16-25-12-4-5-13-25/h1-3,6-7,9,11,14-15,21H,4-5,8,10,12-13,16H2
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| InChIKey |
DCDUVVGUQZHBDT-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