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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H36F3N3O2
Molecular Weight 455.5567
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-0812

SMILES

[H][C@]1(CC[C@](CN2CCC3=C(C2)C=C(C=N3)C(F)(F)F)(C1)C(C)C)N[C@H]4CCOC[C@H]4OC

InChI

InChIKey=UNVWTBOGMHPKJM-CWKRKGSWSA-N
InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H36F3N3O2
Molecular Weight 455.5567
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:17:19 UTC 2023
Edited
by admin
on Sat Dec 16 04:17:19 UTC 2023
Record UNII
P3LKY4ZL5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MK-0812
Common Name English
MK0812
Common Name English
D-ERYTHRO-PENTITOL, 1,5-ANHYDRO-2,3-DIDEOXY-3-(((1R,3S)-3-((7,8-DIHYDRO-3-(TRIFLUOROMETHYL)-1,6-NAPHTHYRIDIN-6(5H)-YL)CARBONYL)-3-(1-METHYLETHYL)CYCLOPENTYL)AMINO)-4-O-METHYL-
Common Name English
Code System Code Type Description
PUBCHEM
71587773
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID9047336
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
CAS
624733-88-6
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
FDA UNII
P3LKY4ZL5O
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
SMS_ID
300000041496
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
DRUG BANK
DB11990
Created by admin on Sat Dec 16 04:17:19 UTC 2023 , Edited by admin on Sat Dec 16 04:17:19 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY