BLF

6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide

Created:	2012-02-01
Last modified:	2012-02-01

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1 entries where BLF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	0
Bond Count	74
Aromatic Bond Count	27

2D diagram of BLF

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Chemical Component Summary
Name	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	6-chloranyl-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
Formula	C₃₁ H₂₉ Cl₂ N₅ O₂
Molecular Weight	574.5
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1)Cn3cnc(c2ccccc2)c3c5c4ccc(Cl)cc4nc5C(=O)NCCN6CCOCC6
SMILES	CACTVS	3.370	Clc1ccc(Cn2cnc(c3ccccc3)c2c4c([nH]c5cc(Cl)ccc45)C(=O)NCCN6CCOCC6)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccc(Cn2cnc(c3ccccc3)c2c4c([nH]c5cc(Cl)ccc45)C(=O)NCCN6CCOCC6)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl
InChI	InChI	1.03	InChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)
InChIKey	InChI	1.03	IFORBTVIRBZFON-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56951871
ChEMBL	CHEMBL2024323

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.