SB 699551   Click here for help

GtoPdb Ligand ID: 264

Synonyms: SB-699,551 | SB699551
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 35.58
Molecular weight 511.36
XLogP 7.43
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C
Isomeric SMILES CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C
InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3
InChI Key SEQAMPXQRKYYQF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-cyclopentyl-N-(2-dimethylaminoethyl)-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide
Synonyms Click here for help
SB-699,551 | SB699551
Database Links Click here for help
CAS Registry No. 791789-61-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1181770
GtoPdb PubChem SID 135651015
PubChem CID 11168182
Search Google for chemical match using the InChIKey SEQAMPXQRKYYQF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SEQAMPXQRKYYQF
Search UniChem for chemical match using the InChIKey SEQAMPXQRKYYQF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SEQAMPXQRKYYQF
Wikipedia SB-699,551