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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H57F2N11O9
Molecular Weight 885.9564
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FAPi-46

SMILES

CN(CCCN1CCN(CC1)C(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C3=CC=C4N=CC=C(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)C4=C3

InChI

InChIKey=SDBGUEFOSXNKBX-HKBQPEDESA-N
InChI=1S/C41H57F2N11O9/c1-47(30-3-4-34-33(21-30)32(5-6-45-34)40(63)46-24-35(55)54-29-41(42,43)22-31(54)23-44)7-2-8-48-17-19-53(20-18-48)36(56)25-49-9-11-50(26-37(57)58)13-15-52(28-39(61)62)16-14-51(12-10-49)27-38(59)60/h3-6,21,31H,2,7-20,22,24-29H2,1H3,(H,46,63)(H,57,58)(H,59,60)(H,61,62)/t31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C41H57F2N11O9
Molecular Weight 885.9564
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:30:26 GMT 2025
Edited
by admin
on Wed Apr 02 05:30:26 GMT 2025
Record UNII
59QC5DY68A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAPi-46
Common Name English
[10-[2-[4-[3-[[4-[[[2-[(2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]methylamino]propyl]-1-piperazinyl]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-?N1,?N4,?N7,?N10]-
Preferred Name English
Code System Code Type Description
FDA UNII
59QC5DY68A
Created by admin on Wed Apr 02 05:30:26 GMT 2025 , Edited by admin on Wed Apr 02 05:30:26 GMT 2025
PRIMARY
PUBCHEM
139400499
Created by admin on Wed Apr 02 05:30:26 GMT 2025 , Edited by admin on Wed Apr 02 05:30:26 GMT 2025
PRIMARY
CAS
2374782-04-2
Created by admin on Wed Apr 02 05:30:26 GMT 2025 , Edited by admin on Wed Apr 02 05:30:26 GMT 2025
PRIMARY
SMS_ID
300000054163
Created by admin on Wed Apr 02 05:30:26 GMT 2025 , Edited by admin on Wed Apr 02 05:30:26 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR