General Information of the Compound
| Compound ID |
CP0546662
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| Compound Name |
US8912224, 211
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| Structure |
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| Formula |
C23H18ClN3O3S2
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| Molecular Weight |
484.002
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| Canonical SMILES |
Clc1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccsc3)s2)ccn1
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| InChI |
InChI=1S/C23H18ClN3O3S2/c24-21-9-14(5-7-25-21)11-26-22(28)20-12-27-23(32-20)29-17-2-4-18-15(10-17)1-3-19(30-18)16-6-8-31-13-16/h2,4-10,12-13,19H,1,3,11H2,(H,26,28)
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| InChIKey |
XJLYATOPMGZDOP-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