RS 39604   Click here for help

GtoPdb Ligand ID: 254

Synonyms: RS-23597-190  | RS-39640
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 64.79
Molecular weight 326.14
XLogP 2.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl
InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3
InChI Key RLSGBCUXLRMTPF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate
Synonyms Click here for help
RS-23597-190  | RS-39640
Database Links Click here for help
BindingDB Ligand 50056415
ChEMBL Ligand CHEMBL83954
GtoPdb PubChem SID 135650943
PubChem CID 182593
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