SB-282241 (Q27088719)

TCMDC-139245 (English)

3 October 2016

chemical formula

C₂₇H₃₁Cl₂N₃O₂

1 reference

TCMDC-139245 (English)

3 October 2016

canonical SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)O)CCCCCNC(=O)C=CC4=CC(=C(C=C4)Cl)Cl

1 reference

TCMDC-139245 (English)

3 October 2016

isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)O)CCCCCNC(=O)/C=C/C4=CC(=C(C=C4)Cl)Cl

1 reference

TCMDC-139245 (English)

InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+

3 October 2016

Identifiers

InChI

1 reference

TCMDC-139245 (English)

QBRLVMQBZIFWTB-WEVVVXLNSA-N

3 October 2016

InChIKey

1 reference

TCMDC-139245 (English)

3 October 2016

1 reference

TCMDC-139245 (English)

3 October 2016

2 references

TCMDC-139245 (English)

matched by identifier from

3 October 2016

InChIKey

QBRLVMQBZIFWTB-WEVVVXLNSA-N

1 reference

Guide to Pharmacology Ligand ID

CHEMBL432713 (English)

3 October 2016

1 reference

782

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

782