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Details

Stereochemistry ACHIRAL
Molecular Formula C26H23ClN6OS2
Molecular Weight 535.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCEPAFANT

SMILES

COC1=CC=C(NC(=S)N2CCC3=C(C2)SC4=C3C(=NCC5=NN=C(C)N45)C6=CC=CC=C6Cl)C=C1

InChI

InChIKey=WBGAFGNZNGJVNW-UHFFFAOYSA-N
InChI=1S/C26H23ClN6OS2/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(35)29-16-7-9-17(34-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,35)

HIDE SMILES / InChI

Molecular Formula C26H23ClN6OS2
Molecular Weight 535.083
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 Dec 15 16:22:02 UTC 2023
Edited
by admin
on Fri Dec 15 16:22:02 UTC 2023
Record UNII
4KGX1STY2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROCEPAFANT
INN  
INN  
Official Name English
rocepafant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
Code System Code Type Description
EVMPD
SUB10350MIG
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
INN
7231
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
PUBCHEM
3033963
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
SMS_ID
100000080248
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
FDA UNII
4KGX1STY2N
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105298
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
NCI_THESAURUS
C73133
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
CAS
132418-36-1
Created by admin on Fri Dec 15 16:22:02 UTC 2023 , Edited by admin on Fri Dec 15 16:22:02 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY