PSB603   Click here for help

GtoPdb Ligand ID: 3284

Synonyms: PSB 603 | PSB-603
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 132.54
Molecular weight 528.13
XLogP 5.29
No. Lipinski's rules broken 1
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Canonical SMILES CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl
Isomeric SMILES CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl
InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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PSB 603 | PSB-603
Database Links Click here for help
Specialist databases
GPCRdb Ligand PSB603
Other databases
CAS Registry No. 1092351-10-4 (source: Scifinder)
ChEMBL Ligand CHEMBL483688
GtoPdb PubChem SID 178100325
PubChem CID 44185871
Search Google for chemical match using the InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OVHCTHHFOHMNFV
UniChem Compound Search for chemical match using the InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N

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PSB 603 (links to external site)
Cat. No. 3198