LU32-176B   

GtoPdb Ligand ID: 4756

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.29
Molecular weight 398.18
XLogP 5.42
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2
InChI InChI=1S/C23H24F2N2O2/c24-17-10-6-15(7-11-17)19(16-8-12-18(25)13-9-16)3-2-14-26-20-4-1-5-21-22(20)23(28)27-29-21/h6-13,19-20,26H,1-5,14H2,(H,27,28)
InChI Key QOSIKKDOOCQXMT-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-{[4,4-bis(4-fluorophenyl)butyl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
Database Links
GtoPdb PubChem SID 178101466
PubChem CID 11749893
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