TFC007   Click here for help

GtoPdb Ligand ID: 11392

Synonyms: TFC 007 | TFC-007
Compound class: Synthetic organic
Comment: TCD007 is an inhibitor of hematopoietic prostaglandin D synthase [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 96.89
Molecular weight 487.22
XLogP 2.69
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
Isomeric SMILES O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
InChI InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
TFC 007 | TFC-007
Database Links Click here for help
BindingDB Ligand 50463722
CAS Registry No. 927878-49-7 (source: PubChem)
ChEMBL Ligand CHEMBL4238186
GtoPdb PubChem SID 440816761
PubChem CID 16040067
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UniChem Connectivity Search for chemical match using the InChIKey NLSSUSRERAMBTA-UHFFFAOYSA-N