L-371,257   

GtoPdb Ligand ID: 2252

Synonyms: L 371257 | L-371257
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 88.62
Molecular weight 507.24
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C
Isomeric SMILES COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C
InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
InChI Key WDERJSQJYIJOPD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Synonyms
L 371257 | L-371257
Database Links
BindingDB Ligand 50029649
CAS Registry No. 162042-44-6 (source: Scifinder)
ChEMBL Ligand CHEMBL24781
GtoPdb PubChem SID 135650475
PubChem CID 6918320
Search Google for chemical match using the InChIKey WDERJSQJYIJOPD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WDERJSQJYIJOPD
Search UniChem for chemical match using the InChIKey WDERJSQJYIJOPD-UHFFFAOYSA-N
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L-371,257
Cat. No. 2410