SCH 206272   Click here for help

GtoPdb Ligand ID: 2106

Synonyms: SCH-206272
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 94.55
Molecular weight 711.19
XLogP 5.79
No. Lipinski's rules broken 2
Click here for help
Canonical SMILES CON=C(C(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCCC(C1=O)CC(=O)NC)CN(C(=O)c1cc(Cl)cc(c1)Cl)C
Isomeric SMILES CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C
InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand SCH 206272
Other databases
BindingDB Ligand 50116717
CAS Registry No. 226915-43-1 (source: Scifinder)
ChEMBL Ligand CHEMBL77023
GtoPdb PubChem SID 135651023
PubChem CID 9875034
Search Google for chemical match using the InChIKey UITMLIVWRRGLLR-SUFYPKAWSA-N
Search Google for chemicals with the same backbone UITMLIVWRRGLLR
UniChem Compound Search for chemical match using the InChIKey UITMLIVWRRGLLR-SUFYPKAWSA-N
UniChem Connectivity Search for chemical match using the InChIKey UITMLIVWRRGLLR-SUFYPKAWSA-N