tedisamil   Click here for help

GtoPdb Ligand ID: 2567

Synonyms: KC-8857
Compound class: Synthetic organic
Comment: Note: the INN document for this compound represents complex stereochemistry which is not represented here, or in the PubChem entry linked to above.
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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 4
Topological polar surface area 6.48
Molecular weight 288.26
XLogP 3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1
Isomeric SMILES C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1
InChI InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2
InChI Key CTIRHWCPXYGDGF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
International Nonproprietary Names Click here for help
INN number INN
6297 tedisamil
Synonyms Click here for help
KC-8857
Database Links Click here for help
CAS Registry No. 90961-53-8 (source: Scifinder)
ChEMBL Ligand CHEMBL113461
GtoPdb PubChem SID 53801046
PubChem CID 65825
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Wikipedia Tedisamil