General Information of the Compound
| Compound ID |
CP0537050
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| Compound Name |
US8912224, 339
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| Structure |
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| Formula |
C19H16N2O3S
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| Molecular Weight |
352.415
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| Canonical SMILES |
NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C19H16N2O3S/c20-18(22)17-11-21-19(25-17)23-14-7-9-16-13(10-14)6-8-15(24-16)12-4-2-1-3-5-12/h1-5,7,9-11,15H,6,8H2,(H2,20,22)
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| InChIKey |
LAAIYHTUJOTABI-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