U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H43FN6O3
Molecular Weight 590.7313
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DSP-5336

SMILES

CC(C)N(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@H]5N[C@H]6CC[C@@H]5C(=C)C6)C=CC(F)=C1

InChI

InChIKey=JQHJEDMMWUIYCE-FVVBACEJSA-N
InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H43FN6O3
Molecular Weight 590.7313
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:31:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:31:00 GMT 2023
Record UNII
VW83Y2JLZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DSP-5336
Code English
BENZAMIDE, 5-FLUORO-2-((4-(7-(((1S,3S,4R)-5-METHYLENE-2-AZABICYCLO(2.2.2)OCT-3-YL)CARBONYL)-2,7-DIAZASPIRO(3.5)NON-2-YL)-5-PYRIMIDINYL)OXY)-N,N-BIS(1-METHYLETHYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 887822
Created by admin on Sat Dec 16 18:31:00 GMT 2023 , Edited by admin on Sat Dec 16 18:31:00 GMT 2023
Code System Code Type Description
FDA UNII
VW83Y2JLZ5
Created by admin on Sat Dec 16 18:31:00 GMT 2023 , Edited by admin on Sat Dec 16 18:31:00 GMT 2023
PRIMARY
PUBCHEM
146430058
Created by admin on Sat Dec 16 18:31:00 GMT 2023 , Edited by admin on Sat Dec 16 18:31:00 GMT 2023
PRIMARY
CAS
2412555-70-3
Created by admin on Sat Dec 16 18:31:00 GMT 2023 , Edited by admin on Sat Dec 16 18:31:00 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET->INHIBITOR OF PROTEIN-PROTEIN INTERACTION
Related Record Type Details
ACTIVE MOIETY