General Information of the Compound
| Compound ID |
CP0884427
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| Compound Name |
SID24834536
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| Structure |
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| Formula |
C22H25ClN2O6S
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| Molecular Weight |
480.97
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OCC2CCCO2)cc1
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| InChI |
InChI=1S/C22H25ClN2O6S/c23-20-8-5-17(14-21(20)32(27,28)25-9-12-29-13-10-25)24-22(26)16-3-6-18(7-4-16)31-15-19-2-1-11-30-19/h3-8,14,19H,1-2,9-13,15H2,(H,24,26)
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| InChIKey |
SOXGIBOLZDEWNB-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: PT06033, Microphthalmia-associated transcription factor