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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29ClFN9O4
Molecular Weight 598.028
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-06815345

SMILES

CCOC(=O)O[C@@H](C)N1N=NN=C1C2=C(C=NN2C)C3=C(F)C=C(C=C3)C(=O)N([C@@H]4CCCNC4)C5=C(Cl)C=CC=N5

InChI

InChIKey=QTBYVAZRKWOIDU-FUHWJXTLSA-N
InChI=1S/C27H29ClFN9O4/c1-4-41-27(40)42-16(2)38-25(33-34-35-38)23-20(15-32-36(23)3)19-10-9-17(13-22(19)29)26(39)37(18-7-5-11-30-14-18)24-21(28)8-6-12-31-24/h6,8-10,12-13,15-16,18,30H,4-5,7,11,14H2,1-3H3/t16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H29ClFN9O4
Molecular Weight 598.028
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 14:55:34 UTC 2023
Edited
by admin
on Sat Dec 16 14:55:34 UTC 2023
Record UNII
4H9X9HO87K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-06815345
Code English
CARBONIC ACID, (1S)-1-(5-(4-(4-(((3-CHLORO-2-PYRIDINYL)(3R)-3-PIPERIDINYLAMINO)CARBONYL)-2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-5-YL)-1H-TETRAZOL-1-YL)ETHYL ETHYL ESTER
Systematic Name English
Code System Code Type Description
SMS_ID
300000041365
Created by admin on Sat Dec 16 14:55:34 UTC 2023 , Edited by admin on Sat Dec 16 14:55:34 UTC 2023
PRIMARY
CAS
1900686-46-5
Created by admin on Sat Dec 16 14:55:34 UTC 2023 , Edited by admin on Sat Dec 16 14:55:34 UTC 2023
PRIMARY
DRUG BANK
DB14862
Created by admin on Sat Dec 16 14:55:34 UTC 2023 , Edited by admin on Sat Dec 16 14:55:34 UTC 2023
PRIMARY
FDA UNII
4H9X9HO87K
Created by admin on Sat Dec 16 14:55:34 UTC 2023 , Edited by admin on Sat Dec 16 14:55:34 UTC 2023
PRIMARY
PUBCHEM
121276853
Created by admin on Sat Dec 16 14:55:34 UTC 2023 , Edited by admin on Sat Dec 16 14:55:34 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
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METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY