General Information of the Compound
| Compound ID |
CP0852300
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| Compound Name |
SID17511890
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| Structure |
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| Formula |
C19H19BrN2OS
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| Molecular Weight |
403.345
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| Canonical SMILES |
COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2SCC3)cc1.[Br-]
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| InChI |
InChI=1S/C19H19N2OS.BrH/c1-14-3-5-15(6-4-14)18-13-21(19-20(18)11-12-23-19)16-7-9-17(22-2)10-8-16;/h3-10,13H,11-12H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
BJPPXTRJGIBHMY-UHFFFAOYSA-M
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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