2-Cl-IB-Meca
(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular Identity
2-Cl-IB-Meca
(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
PubChem CID: 3035850
2D Structure
Properties
C18H18ClIN6O4
Molecular Formula
544.70
Molecular Weight
g/mol
544.0123
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
8
H-Bond Acceptors
623
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2-Cl-IB-Meca163042-96-4NamodenosonCl-IB-MECAChloro-IB-MECACF-102CF102C-Ibza-MU2-Chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamideZ07JR07J6CDTXSID801675042-Chloro-N6-(3-iodobenzyl)adenosine-5'-N-methylcarboxamide2-Chloro-N(6)-(3-iodobenzyl)-9-(5-(methylcarbamoyl)-beta-D-ribofuranosyl)adeninebeta-D-Ribofuranuronamide, 1-[2-chloro-6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-2-chloro-N6-(3-iodobenzyl)adenosine-5'-N-methyluronamide
Data from PubChem (NCBI)
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