PD 165929   Click here for help

GtoPdb Ligand ID: 620

Synonyms: PD-165929 | PD165929
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 98.91
Molecular weight 593.37
XLogP 7.23
No. Lipinski's rules broken 1
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Canonical SMILES O=C(NC(C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C
Isomeric SMILES O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C
InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
PD-165929 | PD165929
Database Links Click here for help
Specialist databases
GPCRdb Ligand PD 165929
Other databases
CAS Registry No. 185215-75-2 (source: Scifinder)
ChEMBL Ligand CHEMBL86828
GtoPdb PubChem SID 135650801
PubChem CID 5311352
Search Google for chemical match using the InChIKey RVCSRPVACXMJEL-BHVANESWSA-N
Search Google for chemicals with the same backbone RVCSRPVACXMJEL
UniChem Compound Search for chemical match using the InChIKey RVCSRPVACXMJEL-BHVANESWSA-N
UniChem Connectivity Search for chemical match using the InChIKey RVCSRPVACXMJEL-BHVANESWSA-N