EP 157   

GtoPdb Ligand ID: 5853

Synonyms: EP-157 | EP157
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 58.89
Molecular weight 443.25
XLogP 8.05
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCCC=CCC1C2CCC(C1C=NOC(c1ccccc1)c1ccccc1)C=C2
Isomeric SMILES OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2
InChI InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26+,27+/m0/s1
InChI Key NBBRUBRIVJNCKV-BYSZDLRWSA-N
Classification
Compound class Synthetic organic
Synonyms
EP-157 | EP157
Database Links
CAS Registry No. 101910-65-0 (source: SciFinder)
GtoPdb PubChem SID 178102477
PubChem CID 73755162
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Search UniChem for chemical match using the InChIKey NBBRUBRIVJNCKV-BYSZDLRWSA-N
Search UniChem for chemicals with the same backbone NBBRUBRIVJNCKV