ramatroban   Click here for help

GtoPdb Ligand ID: 1911

Synonyms: BAY U3405 | BAY-U-3405 | baynas | EN-137774
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.78
Molecular weight 416.12
XLogP 3.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCn1c2CCC(Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F
Isomeric SMILES OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F
InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
InChI Key LDXDSHIEDAPSSA-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
7273 ramatroban
Synonyms Click here for help
BAY U3405 | BAY-U-3405 | baynas | EN-137774
Database Links Click here for help
CAS Registry No. 116649-85-5 (source: Scifinder)
ChEMBL Ligand CHEMBL361812
DrugCentral Ligand 2354
GtoPdb PubChem SID 135650884
PubChem CID 123879
RCSB PDB Ligand A8X
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UniChem Compound Search for chemical match using the InChIKey LDXDSHIEDAPSSA-OAHLLOKOSA-N
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Wikipedia Ramatroban

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Tocris
BAY-u 3405
Cat. No. 2732