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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21N3O3
Molecular Weight 279.3348
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-12177, (S)-

SMILES

CC(C)(C)NC[C@H](O)COC1=C2NC(=O)NC2=CC=C1

InChI

InChIKey=UMQUQWCJKFOUGV-VIFPVBQESA-N
InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H21N3O3
Molecular Weight 279.3348
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 Dec 16 14:02:43 UTC 2023
Edited
by admin
on Sat Dec 16 14:02:43 UTC 2023
Record UNII
Z7YP8B158Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-12177, (S)-
Code English
(S)-(-)-CGP-12177
Code English
2H-BENZIMIDAZOL-2-ONE, 4-((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDRO-
Common Name English
(-)-CGP 12177
Common Name English
Code System Code Type Description
FDA UNII
Z7YP8B158Q
Created by admin on Sat Dec 16 14:02:44 UTC 2023 , Edited by admin on Sat Dec 16 14:02:44 UTC 2023
PRIMARY
PUBCHEM
6603756
Created by admin on Sat Dec 16 14:02:44 UTC 2023 , Edited by admin on Sat Dec 16 14:02:44 UTC 2023
PRIMARY
CAS
95840-76-9
Created by admin on Sat Dec 16 14:02:44 UTC 2023 , Edited by admin on Sat Dec 16 14:02:44 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
LABELED -> NON-LABELED
TARGET -> AGONIST
TARGET -> INHIBITOR
BINDING
Kd
TARGET -> INHIBITOR
BINDING
Kd
Related Record Type Details
ACTIVE MOIETY