General Information of the Compound
| Compound ID |
CP0844329
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| Compound Name |
SID164339404
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| Structure |
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| Formula |
C19H20BrNO3S
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| Molecular Weight |
422.344
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| Canonical SMILES |
COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H20BrNO3S/c1-13-12-19(2,3)21(18-10-7-15(24-4)11-17(13)18)25(22,23)16-8-5-14(20)6-9-16/h5-12H,1-4H3
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| InChIKey |
JPLCIFYZYVVSLL-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8