Pci-27483
(2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid
Molecular Identity
Pci-27483
(2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid
PubChem CID: 135425273
2D Structure
Properties
C26H24N6O9S
Molecular Formula
596.60
Molecular Weight
g/mol
596.1325
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
291
TPSA
May have limited oral absorption
9
H-Bond Donors
12
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC(CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)N[C@@H](CC(=O)O)C(=O)OSynonyms(20)
PCI-27483871266-63-6CRA-0274836073LCU8U9(S)-2-(2-(5-(5-Carbamimidoyl-1H-benzo(d)imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-(1,1'-biphenyl)-3-yl)acetamido)succinic acidL-Aspartic acid, N-(2-(5-(6-(aminoiminomethyl)-1H-benzimidazol-2-yl)-5'-(aminosulfonyl)-2',6-dihydroxy(1,1'-biphenyl)-3-yl)acetyl)-N-((5-(5-carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl)acetyl)-L-aspartic acidRefChem:170500Factor VIIa Inhibitor PCI-27483(2S)-2-(2-(5-(6-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-(1,1'-biphenyl)-3-yl)acetamido)butanedioic acidPCI27483MFCD25976837(2-(5-(6-carbamimidoyl-1H-benzo[d]imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-[1,1'-biphenyl]-3-yl)acetyl)-L-aspartic acidPCI 27483(2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid
Data from PubChem (NCBI)
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Drug Network
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