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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H33BrFN3O5
Molecular Weight 614.503
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TBAJ-587

SMILES

COC1=CC(=CC(OC)=N1)[C@](O)(CCN(C)C)[C@@H](C2=CC3=CC(Br)=CC=C3N=C2OC)C4=C(F)C(OC)=CC=C4

InChI

InChIKey=JJEGOJPMKLRSPJ-POURPWNDSA-N
InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H33BrFN3O5
Molecular Weight 614.503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:23:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:23:17 GMT 2023
Record UNII
D6UWM02W81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TBAJ-587
Code English
Code System Code Type Description
CAS
2252316-16-6
Created by admin on Sat Dec 16 16:23:17 GMT 2023 , Edited by admin on Sat Dec 16 16:23:17 GMT 2023
PRIMARY
PUBCHEM
138319677
Created by admin on Sat Dec 16 16:23:17 GMT 2023 , Edited by admin on Sat Dec 16 16:23:17 GMT 2023
PRIMARY
SMS_ID
300000023394
Created by admin on Sat Dec 16 16:23:17 GMT 2023 , Edited by admin on Sat Dec 16 16:23:17 GMT 2023
PRIMARY
FDA UNII
D6UWM02W81
Created by admin on Sat Dec 16 16:23:17 GMT 2023 , Edited by admin on Sat Dec 16 16:23:17 GMT 2023
PRIMARY
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