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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30N4O4S2
Molecular Weight 514.66
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Soquelitinib

SMILES

COC1=CC(C)=C(SC2=CN=C(NC(=O)C3CC3)S2)C=C1C(=O)N4CCCN([C@H](C)C4)C(=O)C=C

InChI

InChIKey=KNCWSXRTKLTULH-MRXNPFEDSA-N
InChI=1S/C25H30N4O4S2/c1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17/h5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31)/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Soquelitinib
INN   USAN  
Official Name English
Cyclopropanecarboxamide, N-[5-[[5-[[(3R)-hexahydro-3-methyl-4-(1-oxo-2-propen-1-yl)-1H-1,4-diazepin-1-yl]carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-
Preferred Name English
CP-000596
Code English
CPI596
Code English
N-{5-[(5-{[(3R)-4-(prop-2-enoyl)-3-methyl-1,4-diazepan-1-yl]carbonyl}-4-methoxy-2-methylphenyl)sulfanyl]-1,3-thiazol-2-yl}cyclopropanecarboxamide
Systematic Name English
CPI818
Code English
CPI-818
Code English
SOQUELITINIB [USAN]
Common Name English
CPI-000818
Code English
soquelitinib [INN]
Common Name English
CPI-596
Code English
N-[5-({4-methoxy-2-methyl-5-[(3R)-3-methyl-4-(prop-2-enoyl)-1,4-diazepane-1-carbonyl]phenyl}sulfanyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
Systematic Name English
Code System Code Type Description
USAN
KL-241
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
CAS
2226636-04-8
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
NCI_THESAURUS
C162010
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
FDA UNII
6I5H17AN3I
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
PUBCHEM
134517711
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
INN
12839
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY
SMS_ID
300000052090
Created by admin on Wed Apr 02 02:21:08 GMT 2025 , Edited by admin on Wed Apr 02 02:21:08 GMT 2025
PRIMARY