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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27F2N7O2
Molecular Weight 447.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CC-90005

SMILES

CC(F)(F)COC1=NC=NC=C1CNC2=NC(N[C@@H]3CC[C@H](O)C(C)(C)C3)=C(C=N2)C#N

InChI

InChIKey=FMKGJQHNYMWDFJ-CVEARBPZSA-N
InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27F2N7O2
Molecular Weight 447.4816
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 18:42:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:42:52 GMT 2023
Record UNII
GEZ43HM6NW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CC-90005
Code English
5-PYRIMIDINECARBONITRILE, 2-(((4-(2,2-DIFLUOROPROPOXY)-5-PYRIMIDINYL)METHYL)AMINO)-4-(((1R,4S)-4-HYDROXY-3,3-DIMETHYLCYCLOHEXYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
118162109
Created by admin on Sat Dec 16 18:42:52 GMT 2023 , Edited by admin on Sat Dec 16 18:42:52 GMT 2023
PRIMARY
FDA UNII
GEZ43HM6NW
Created by admin on Sat Dec 16 18:42:52 GMT 2023 , Edited by admin on Sat Dec 16 18:42:52 GMT 2023
PRIMARY
CAS
1799574-70-1
Created by admin on Sat Dec 16 18:42:52 GMT 2023 , Edited by admin on Sat Dec 16 18:42:52 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY