JNJ 7777120   

GtoPdb Ligand ID: 1278

Synonyms: JNJ-7777120
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
IUPAC Name
(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Synonyms
JNJ-7777120
Database Links
CAS Registry No. 459168-41-3 (source: Scifinder)
ChEMBL Ligand CHEMBL129198
GtoPdb PubChem SID 135650446
PubChem CID 4908365
Search Google for chemical match using the InChIKey HUQJRYMLJBBEDO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HUQJRYMLJBBEDO
Search UniChem for chemical match using the InChIKey HUQJRYMLJBBEDO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HUQJRYMLJBBEDO
Wikipedia JNJ-7777120

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Tocris
JNJ 7777120
Cat. No. 4021