General Information of the Compound
| Compound ID |
CP0866342
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| Compound Name |
SID24830872
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| Structure |
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| Formula |
C22H24Br2N2O
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| Molecular Weight |
492.255
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| Canonical SMILES |
CCOc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCCCC3)cc1.[Br-]
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| InChI |
InChI=1S/C22H24BrN2O.BrH/c1-2-26-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)16-24-15-5-3-4-6-22(24)25;/h7-14,16H,2-6,15H2,1H3;1H/q+1;/p-1
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| InChIKey |
YQSYMRHLVVRFLS-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