Soquelitinib
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]cyclopropanecarboxamide
Molecular Identity
Soquelitinib
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]cyclopropanecarboxamide
PubChem CID: 134517711
2D Structure
Properties
C25H30N4O4S2
Molecular Formula
514.70
Molecular Weight
g/mol
514.1708
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
145
TPSA
May have limited oral absorption
1
H-Bond Donors
7
H-Bond Acceptors
810
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OCIsomeric SMILES
SMILES: C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OCSynonyms(20)
Soquelitinib2226636-04-8CPI818CPI-000818CPI596CPI-596CP-0005966I5H17AN3IN-[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]cyclopropanecarboxamideN-(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)cyclopropanecarboxamideRefChem:1098890CPI-818(R)-N-(5-((5-(4-Acryloyl-3-methyl-1,4-diazepane-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)cyclopropanecarboxamideSoquelitinib (USAN)SOQUELITINIB [USAN]
Data from PubChem (NCBI)
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Drug Network
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