traxoprodil   

GtoPdb Ligand ID: 4163

Synonyms: CP-101,606 | CP-101606 | CP101606
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 63.93
Molecular weight 327.18
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)C(C(N1CCC(CC1)(O)c1ccccc1)C)O
Isomeric SMILES Oc1ccc(cc1)[C@@H]([C@@H](N1CCC(CC1)(O)c1ccccc1)C)O
InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
InChI Key QEMSVZNTSXPFJA-HNAYVOBHSA-N