General Information of the Compound
| Compound ID |
CP0464906
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| Compound Name |
US8912224, 193
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| Structure |
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| Formula |
C23H22N2O5S
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| Molecular Weight |
438.505
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| Canonical SMILES |
CC(C)(NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(O)=O
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| InChI |
InChI=1S/C23H22N2O5S/c1-23(2,21(27)28)25-20(26)19-13-24-22(31-19)29-16-9-11-18-15(12-16)8-10-17(30-18)14-6-4-3-5-7-14/h3-7,9,11-13,17H,8,10H2,1-2H3,(H,25,26)(H,27,28)/t17-/m0/s1
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| InChIKey |
HBIDJGPRXWZXIL-KRWDZBQOSA-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