Soquelitinib

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 Search

SMILES

COC1=C(C=C(SC2=CN=C(NC(=O)C3CC3)S2)C(C)=C1)C(=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

Molecular Formula	C25H30N4O4S2
Molecular Weight	514.66
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:57:59 GMT 2023` Edited by `admin` on `Sat Dec 16 14:57:59 GMT 2023`
Record UNII	6I5H17AN3I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Soquelitinib

Official Name

English

CP-000596

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

CPI-818

Code

English

SOQUELITINIB [USAN]

Common Name

English

CPI-000818

Code

English

CPI-596

Code

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]-

Systematic Name

English

Code System Code Type Description

USAN

KL-241