General Information of the Compound
| Compound ID |
CP0550988
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| Compound Name |
US8912224, 281
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| Structure |
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| Formula |
C22H22N2O3S
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| Molecular Weight |
394.496
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| Canonical SMILES |
CCCNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H22N2O3S/c1-2-12-23-21(25)20-14-24-22(28-20)26-17-9-11-19-16(13-17)8-10-18(27-19)15-6-4-3-5-7-15/h3-7,9,11,13-14,18H,2,8,10,12H2,1H3,(H,23,25)/t18-/m0/s1
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| InChIKey |
MZLAALXYKJSUIA-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