General Information of the Compound
| Compound ID |
CP0010169
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| Compound Name |
CHEMBL4561182
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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(c1)C(=O)NC[C@@H]1C[C@H](C)O[C@H](C)C1
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| InChI |
InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)10-25-23(28)20-8-17(7-19-12-32-13-21(19)20)18-9-22(27-34(4,29)30)24(31-3)26-11-18/h7-9,11,14-16,27H,5-6,10,12-13H2,1-4H3,(H,25,28)/t14-,15+,16+
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| InChIKey |
NUIXXPSLUJOFFR-ZSHCYNCHSA-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