calindol   Click here for help

GtoPdb Ligand ID: 719

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 27.82
Molecular weight 300.16
XLogP 5.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2
Isomeric SMILES C[C@H](c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2
InChI InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1
InChI Key JLPWXRZETODYFC-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine
Database Links Click here for help
CAS Registry No. 374933-30-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1801356
GtoPdb PubChem SID 135650049
PubChem CID 9882793
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