General Information of the Compound
| Compound ID |
CP0570236
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| Compound Name |
US8912224, 246
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| Structure |
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| Formula |
C21H20N2O4S
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| Molecular Weight |
396.468
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| Canonical SMILES |
OC(=O)CNCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C21H20N2O4S/c24-20(25)13-22-11-17-12-23-21(28-17)26-16-7-9-19-15(10-16)6-8-18(27-19)14-4-2-1-3-5-14/h1-5,7,9-10,12,18,22H,6,8,11,13H2,(H,24,25)/t18-/m0/s1
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| InChIKey |
XPZJMEVUPGSQHO-SFHVURJKSA-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