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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H30FN5O3
Molecular Weight 527.5904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LY-2623091

SMILES

C[C@]([H])(CN1CCOCC1)n2c3ccc(/C(/[H])=C/4\c5ccccc5COc6cc(ccc46)F)cc3nc2NC(=N)O

InChI

InChIKey=YPCLDHGBEKZGEB-RUDKWAFVSA-N
InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H30FN5O3
Molecular Weight 527.5904
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:20:16 UTC 2021
Edited
by admin
on Fri Jun 25 23:20:16 UTC 2021
Record UNII
6FHZ595FNM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-2623091
Common Name English
UREA, N-(5-((E)-(3-FLUORODIBENZ(B,E)OXEPIN-11(6H)-YLIDENE)METHYL)-1,3-DIHYDRO-1-((1R)-1-METHYL-2-(4-MORPHOLINYL)ETHYL)-2H-BENZIMIDAZOL-2-YLIDENE)-, (N(E))-
Common Name English
LY2623091
Common Name English
(E)-1-(5-((E)-(3-FLUORODIBENZO(B,E)OXEPIN-11(6H)-YLIDENE)METHYL)-1-((R)-1-MORPHOLINOPROPAN-2-YL)-1H-BENZO(D)IMIDAZOL-2(3H)-YLIDENE)UREA
Common Name English
Code System Code Type Description
FDA UNII
6FHZ595FNM
Created by admin on Fri Jun 25 23:20:16 UTC 2021 , Edited by admin on Fri Jun 25 23:20:16 UTC 2021
PRIMARY
PUBCHEM
42636651
Created by admin on Fri Jun 25 23:20:16 UTC 2021 , Edited by admin on Fri Jun 25 23:20:16 UTC 2021
PRIMARY
CAS
1162264-07-4
Created by admin on Fri Jun 25 23:20:16 UTC 2021 , Edited by admin on Fri Jun 25 23:20:16 UTC 2021
PRIMARY
DRUG BANK
DB15367
Created by admin on Fri Jun 25 23:20:16 UTC 2021 , Edited by admin on Fri Jun 25 23:20:16 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
log P CHEMICAL