General Information of the Compound
| Compound ID |
CP0115441
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| Compound Name |
CHEMBL3622362
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| Formula |
C23H29N3O5S2
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| Molecular Weight |
491.635
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| Canonical SMILES |
CCS(=O)(=O)N[C@H]1CC[C@@](CNC2=NS(=O)(=O)c3cccc(OC)c23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H29N3O5S2/c1-3-32(27,28)25-18-12-14-23(15-13-18,17-8-5-4-6-9-17)16-24-22-21-19(31-2)10-7-11-20(21)33(29,30)26-22/h4-11,18,25H,3,12-16H2,1-2H3,(H,24,26)/t18-,23-
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| InChIKey |
CJQQFOJFFTZBPF-RXAXNXDRSA-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