DNB-001
1-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
Molecular Identity
DNB-001
1-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
PubChem CID: 9823724
2D Structure
Properties
C22H27N5O4
Molecular Formula
425.50
Molecular Weight
g/mol
425.2063
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
658
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
DNB-001RefChem:5900201-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidineSCHEMBL929852orb1700229CHEMBL1272272SCHEMBL12748452DTXSID801356882Guanidine, N-((2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3,4-dihydro-3-hydroxy-2-methyl-2H-1-benzopyran-4-yl)-N'-cyano-N''-(phenylmethyl)-AKOS040748675CS-0068210N''-[(2S,3S,4R)-6-Amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-benzyl-N'-cyanoguanidine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to DNB-001
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