2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
2-methyl-5-[(9H-pyrimido[4,5-b]indol-4-ylamino)methyl]furan-3-carboxylic acid
Molecular Identity
2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
2-methyl-5-[(9H-pyrimido[4,5-b]indol-4-ylamino)methyl]furan-3-carboxylic acid
PubChem CID: 164513337
2D Structure
Properties
C17H14N4O3
Molecular Formula
322.32
Molecular Weight
g/mol
322.1066
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
477
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(O1)CNC2=NC=NC3=C2C4=CC=CC=C4N3)C(=O)OIsomeric SMILES
SMILES: CC1=C(C=C(O1)CNC2=NC=NC3=C2C4=CC=CC=C4N3)C(=O)OSynonyms(3)
2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acidZ5398393124ROO
Data from PubChem (NCBI)
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Molecular Structure
2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
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Drug Network
Trials and conditions connected to 2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
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