NNC052090   Click here for help

GtoPdb Ligand ID: 4610

Synonyms: NNC 05-2090
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 1
Rotatable bonds 6
Topological polar surface area 37.63
Molecular weight 414.23
XLogP 5.26
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2
Isomeric SMILES COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2
InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
InChI Key XZZYCJOGZYEPPW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[3-(9H-carbazol-9-yl)propyl]-4-(2-methoxyphenyl)piperidin-4-ol
Synonyms Click here for help
NNC 05-2090
Database Links Click here for help
ChEMBL Ligand CHEMBL1446457
GtoPdb PubChem SID 178101330
PubChem CID 9888030
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