NGB 2904   Click here for help

GtoPdb Ligand ID: 6674

Synonyms: NGB-2904
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 8
Topological polar surface area 35.58
Molecular weight 493.17
XLogP 7.05
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
Isomeric SMILES O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
InChI Key YJPWVCIGSHWNON-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
Synonyms Click here for help
NGB-2904
Database Links Click here for help
ChEMBL Ligand CHEMBL300780
GtoPdb PubChem SID 178103286
PubChem CID 9891901
Search Google for chemical match using the InChIKey YJPWVCIGSHWNON-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YJPWVCIGSHWNON
UniChem Compound Search for chemical match using the InChIKey YJPWVCIGSHWNON-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YJPWVCIGSHWNON-UHFFFAOYSA-N