Chemical Compound

Photoregulin1

CAS Registry Number1003736-23-9
Photoregulin1 chemical structure
Primary record

Photoregulin1

CAS
1003736-23-9
PubChem CID
7901316
SMILES
CC1=CC(=CC(=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C
Molecular Formula
C21H23N3O2S
Molecular Weight
381.501
Exact Mass
381.1511
InChI
InChI=1S/C21H23N3O2S/c1-12-9-13(2)11-14(10-12)22-18(25)8-7-17-23-20(26)19-15-5-3-4-6-16(15)27-21(19)24-17/h9-11H,3-8H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKey
HGXMLGSUGNEINU-UHFFFAOYSA-N
LogP
4.0515
TPSA
74.85

Names and synonyms

  • Photoregulin1
  • AC1OUNR5
  • MLS001161739
  • orb1699631
  • CHEMBL1553387
  • SCHEMBL18112597
  • HMS3013N09
  • ZINC6154146
  • ZINC06154146
  • AKOS001453346
  • AKOS040749203
  • CID7901316
  • SMR000715199
  • 1003736-23-9
  • CS-0034113
  • SR-01000839992
  • SR-01000839992-2
  • Z30888237
  • [1]Benzothieno[2,3-d]pyrimidine-2-propanamide, N-(3,5-dimethylphenyl)-1,4,5,6,7,8-hexahydro-4-oxo-
  • N-(3,5-Dimethyl-phenyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-propionamide
  • N-(3,5-dimethylphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide