[3H]JNJ 7777120   Click here for help

GtoPdb Ligand ID: 1279

Synonyms: [3H]-JNJ7777120
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 39.34
Molecular weight 277.1
XLogP 2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl
Isomeric SMILES CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl
InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChI Key HUQJRYMLJBBEDO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Synonyms Click here for help
[3H]-JNJ7777120
Database Links Click here for help
BindingDB Ligand 22566
ChEMBL Ligand CHEMBL129198
GtoPdb PubChem SID 135651168
PubChem CID 4908365
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Tocris
JNJ 7777120
Cat. No. 4021