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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24FN3O2
Molecular Weight 333.4011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KML-010

SMILES

CN1CN=C(C21CCN(CCCC(=O)c3ccc(cc3)F)CC2)O

InChI

InChIKey=GRADLHIYNHRBCW-UHFFFAOYSA-N
InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24)

HIDE SMILES / InChI

Molecular Formula C18H24FN3O2
Molecular Weight 333.4011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:14:09 UTC 2021
Edited
by admin
on Fri Jun 25 22:14:09 UTC 2021
Record UNII
V68MR69LDZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KML-010
Code English
1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE, 8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-1-METHYL
Systematic Name English
8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-1-METHYL-1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
10404584
Created by admin on Fri Jun 25 22:14:09 UTC 2021 , Edited by admin on Fri Jun 25 22:14:09 UTC 2021
PRIMARY
FDA UNII
V68MR69LDZ
Created by admin on Fri Jun 25 22:14:09 UTC 2021 , Edited by admin on Fri Jun 25 22:14:09 UTC 2021
PRIMARY
CAS
217635-62-6
Created by admin on Fri Jun 25 22:14:09 UTC 2021 , Edited by admin on Fri Jun 25 22:14:09 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY