General Information of the Compound
| Compound ID |
CP0862115
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| Compound Name |
SID49714947
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| Structure |
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| Formula |
C24H35N3O5S
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| Molecular Weight |
477.627
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| Canonical SMILES |
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)c1
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| InChI |
InChI=1S/C24H35N3O5S/c1-17-11-18(2)14-27(13-17)10-6-9-25-23(28)16-33(29,30)15-22-19(3)32-24(26-22)20-7-5-8-21(12-20)31-4/h5,7-8,12,17-18H,6,9-11,13-16H2,1-4H3,(H,25,28)
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| InChIKey |
MXCYLAVSKRQDAN-UHFFFAOYSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8