SDZ SER-082   Click here for help

GtoPdb Ligand ID: 195

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 6.48
Molecular weight 228.16
XLogP 2.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC2C(C1)c1cccc3c1N(C2)CC3
Isomeric SMILES CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3
InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
InChI Key YASBOGFWAMXINH-TZMCWYRMSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
CAS Registry No. 141474-54-6 (source: Scifinder)
ChEMBL Ligand CHEMBL316069
GtoPdb PubChem SID 135651035
PubChem CID 9859407
Search Google for chemical match using the InChIKey YASBOGFWAMXINH-TZMCWYRMSA-N
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Search UniChem for chemical match using the InChIKey YASBOGFWAMXINH-TZMCWYRMSA-N
Search UniChem for chemicals with the same backbone YASBOGFWAMXINH
Wikipedia SDZ_SER-082