General Information of the Compound
| Compound ID |
CP0006999
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| Compound Name |
CHEMBL4467351
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| Formula |
C24H31N3O6S
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| Molecular Weight |
489.594
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1
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| InChI |
InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-
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| InChIKey |
FWSGJUFPPIXYSZ-MUJYYYPQSA-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