General Information of the Compound
| Compound ID |
CP0471168
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| Compound Name |
US8912224, 315
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| Structure |
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| Formula |
C22H20N2O3S
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| Molecular Weight |
392.48
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| Canonical SMILES |
O=C(NC1CC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H20N2O3S/c25-21(24-16-7-8-16)20-13-23-22(28-20)26-17-9-11-19-15(12-17)6-10-18(27-19)14-4-2-1-3-5-14/h1-5,9,11-13,16,18H,6-8,10H2,(H,24,25)
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| InChIKey |
AWQKGRZAIHILJV-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