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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O3S2
Molecular Weight 375.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCI

SMILES

COC1=NC(=NC(NCC2=CC=CS2)=C1)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=LWZBBNWYOITRHC-UHFFFAOYSA-N
InChI=1S/C17H17N3O3S2/c1-23-16-10-15(18-11-13-4-3-9-24-13)19-17(20-16)12-5-7-14(8-6-12)25(2,21)22/h3-10H,11H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17N3O3S2
Molecular Weight 375.465
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 Sat Dec 16 15:10:35 UTC 2023
Edited
by admin
on Sat Dec 16 15:10:35 UTC 2023
Record UNII
BS3YU156EO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCI
Common Name English
Code System Code Type Description
PUBCHEM
44456883
Created by admin on Sat Dec 16 15:10:35 UTC 2023 , Edited by admin on Sat Dec 16 15:10:35 UTC 2023
PRIMARY
CAS
1018480-89-1
Created by admin on Sat Dec 16 15:10:35 UTC 2023 , Edited by admin on Sat Dec 16 15:10:35 UTC 2023
PRIMARY
FDA UNII
BS3YU156EO
Created by admin on Sat Dec 16 15:10:35 UTC 2023 , Edited by admin on Sat Dec 16 15:10:35 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY