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Summary Geometry Related PDB entries

YLU

Summary

Name:	(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
Formula:	C24 H24 F N7 O
Formal charge:	0
Formula weight:	445.492 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
OpenEye OEToolkits	2.0.7	3-(2-fluoranyl-4-methyl-phenyl)-~{N}-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1,2,3,4-tetrazol-1-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F
InChI	InChI	1.06	InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33)
InChIKey	InChI	1.06	QJONWAZNSSIIHU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCc1nnnn1c2cc(cc(c2)c3ccc(C)cc3F)C(=O)NCc4cnc(C)cn4
SMILES	CACTVS	3.385	CCCc1nnnn1c2cc(cc(c2)c3ccc(C)cc3F)C(=O)NCc4cnc(C)cn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCc1nnnn1c2cc(cc(c2)C(=O)NCc3cnc(cn3)C)c4ccc(cc4F)C
SMILES	OpenEye OEToolkits	2.0.7	CCCc1nnnn1c2cc(cc(c2)C(=O)NCc3cnc(cn3)C)c4ccc(cc4F)C

255239

PDB entries from 2026-06-17

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