Carotegrast Methyl
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
Molecular Identity
Carotegrast Methyl
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
PubChem CID: 9872780
2D Structure
Properties
C28H26Cl2N4O5
Molecular Formula
569.40
Molecular Weight
g/mol
568.1280
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
99.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
918
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)ClIsomeric SMILES
SMILES: CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)ClSynonyms(20)
Carotegrast methyl401905-67-7OYK17DYO9MDTXSID60193189L-PHENYLALANINE, N-(2,6-DICHLOROBENZOYL)-4-(6-(DIMETHYLAMINO)-1,4-DIHYDRO-1-METHYL-2,4-DIOXO-3(2H)-QUINAZOLINYL)-, METHYL ESTERRefChem:123796DTXCID20115680AJM300methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoateCarotegrast methyl (JAN)N-(2,6-Dichlorobenzoyl)-4-[6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl]-L-phenylalanine methyl esterCAROTEGRAST METHYL [JAN]UNII-OYK17DYO9MCarogramethyl (2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}propanoate
Data from PubChem (NCBI)
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Trials and conditions connected to Carotegrast Methyl
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