DX 9065
Basic information
- CAS
150612-55-8- Standard SMILES
CC(=N)N1CC[C@H](Oc2ccc([C@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1- InChIKey
AGRCGQSFFMCBRE-ZEQRLZLVSA-N- Molecular formula
- C26H28N4O3
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.21614077
Names & identifiers
- Preferred name
- DX 9065
- IUPAC
- (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid
Names & synonyms
DTXSID301026337DX 9065RefChem:920723DTXCID801510569RF60GS0DRO150612-55-8UNII-RF60GS0DRODX-9065CHEMBL19902(2s)-3-(7-Carbamimidoylnaphthalen-2-Yl)-2-[4-({(3r)-1-[(1z)-Ethanimidoyl]pyrrolidin-3-Yl}oxy)phenyl]propanoic AcidCHEMBL5390531fax
Show more names
(alphaS)-7-(Aminoiminomethyl)-alpha-(4-(((3S)-1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-2-naphthalenepropanoic acid2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-alpha-(4-(((3S)-1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-, (alphaS)-2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-alpha-(4-((1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-, (S-(R*,R*))-SCHEMBL675242SCHEMBL29358964BDBM17283GTPL11365DX9056A
Database identifiers
- CAS
150612-55-8- PubChem CID
- 122129
- DTXSID
DTXSID301026337- ChEMBL
CHEMBL19902- UNII
- RF60GS0DRO
- Nikkaji
- J586.731B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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