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(+)-JQ1
SpectraBase Compound ID 78bkTjNoHQF
InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey DNVXATUJJDPFDM-KRWDZBQOSA-N
Mol Weight 456.99 g/mol
Molecular Formula C23H25ClN4O2S
Exact Mass 456.138675 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Hor8UdvlSa0
Name (+)-JQ1
Source of Sample Cayman Chemical Company
Catalog Number 11187
Lot Number 0451708-49
Accessory DurasamplIR II
CAS Registry Number 1268524-70-4
Classification displaces BET proteins from chromatin by competitively binding to the acetyl-lysine recognition pocket of BET bromodomains
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Formula C23H25ClN4O2S
InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey DNVXATUJJDPFDM-KRWDZBQOSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 4-(4-Chlorophenyl)-2,3,9-trimethyl-1,1-dimethylethyl ester-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6S-acetic acid
Technique ATR-Neat (DuraSamplIR II)