Mirivadelgat
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
Molecular Identity
Mirivadelgat
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
PubChem CID: 126646947
2D Structure
Properties
C30H34FN3O5
Molecular Formula
535.60
Molecular Weight
g/mol
535.2482
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
797
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)OCC1=C(N=CC=C1)C2=CC(=C(C=C2)OCC3CC3)C(=O)NCC4=CC(=C(C=C4)OC)F)NIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)OCC1=C(N=CC=C1)C2=CC(=C(C=C2)OCC3CC3)C(=O)NCC4=CC(=C(C=C4)OC)F)NSynonyms(12)
Mirivadelgat1804941-96-5L-Valine, [2-[4-(cyclopropylmethoxy)-3-[[[(3-fluoro-4-methoxyphenyl)methyl]amino]carbonyl]phenyl]-3-pyridinyl]methyl estermirivadelgat [INN]orb2944927SCHEMBL1858279822TB7Q431DEX-A12912HY-168985T205169[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoateL-Valine 2-[4-(Cyclopropylmethoxy)-3-[N-(3-fluoro-4-methoxybenzyl)carbamoyl]phenyl]pyridin-3-ylmethyl ester
Data from PubChem (NCBI)
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Drug Network
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