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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18FN7O2
Molecular Weight 431.4233
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-563117

SMILES

CC[C@@]([H])(c1nc2cccc(c2c(=O)n1-c3ccccc3)F)Nc4c5c(ncn4)[nH]c(n5)O

InChI

InChIKey=PEYAOBRJGKFVDV-AWEZNQCLSA-N
InChI=1S/C22H18FN7O2/c1-2-14(26-18-17-19(25-11-24-18)29-22(32)28-17)20-27-15-10-6-9-13(23)16(15)21(31)30(20)12-7-4-3-5-8-12/h3-11,14H,2H2,1H3,(H3,24,25,26,28,29,32)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H18FN7O2
Molecular Weight 431.4233
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 Sat Jun 26 05:59:45 UTC 2021
Edited
by admin
on Sat Jun 26 05:59:45 UTC 2021
Record UNII
W99Y3YHO0I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-563117
Common Name English
(S)-5-FLUORO-2-(1-((8-OXO-8,9-DIHYDRO-7H-PURIN-6-YL)AMINO)PROPYL)-3-PHENYLQUINAZOLIN-4(3H)-ONE
Systematic Name English
IDELALISIB METABOLITE M30A
Common Name English
Code System Code Type Description
FDA UNII
W99Y3YHO0I
Created by admin on Sat Jun 26 05:59:45 UTC 2021 , Edited by admin on Sat Jun 26 05:59:45 UTC 2021
PRIMARY
PUBCHEM
121490153
Created by admin on Sat Jun 26 05:59:45 UTC 2021 , Edited by admin on Sat Jun 26 05:59:45 UTC 2021
PRIMARY
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Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC