Vemtoberant
1-ethyl-3-[[(3R)-3-[[(2S)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]quinolin-4-one
Molecular Identity
Vemtoberant
1-ethyl-3-[[(3R)-3-[[(2S)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]quinolin-4-one
PubChem CID: 132225057
2D Structure
Properties
C29H37N3O8S2
Molecular Formula
619.80
Molecular Weight
g/mol
619.2022
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
159
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)N3CCC4(CC3)CC(CO4)NCC(COC5=CC(=CC=C5)S(=O)(=O)C)OIsomeric SMILES
SMILES: CCN1C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)N3CCC4(CC3)C[C@H](CO4)NC[C@@H](COC5=CC(=CC=C5)S(=O)(=O)C)OSynonyms(20)
Vemtoberant2169905-68-2APD418APD-4181-ethyl-3-[[(3R)-3-[[(2S)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]quinolin-4-onevemtoberant [INN]4IJ6WR3BW8orb1744500CHEMBL5314946SCHEMBL19707104SCHEMBL29933867BDBM484072GLXC-27928EX-A7995US10927123, Compound 310
Data from PubChem (NCBI)
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Drug Network
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