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Summary Geometry Related PDB entries

F30

Summary

Name:	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide
Formula:	C16 H11 Br N6 O
Formal charge:	0
Formula weight:	383.202 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide
OpenEye OEToolkits	2.0.7	3-bromanyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1~{H}-indole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1c[NH]c2ccc(cc21)C(=O)Nc1cccc(c1)c1nnn[NH]1
InChI	InChI	1.03	InChI=1S/C16H11BrN6O/c17-13-8-18-14-5-4-10(7-12(13)14)16(24)19-11-3-1-2-9(6-11)15-20-22-23-21-15/h1-8,18H,(H,19,24)(H,20,21,22,23)
InChIKey	InChI	1.03	XFHGTCMLEBYPMZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc(c3)c4[nH]nnn4
SMILES	CACTVS	3.385	Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc(c3)c4[nH]nnn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NC(=O)c2ccc3c(c2)c(c[nH]3)Br)c4[nH]nnn4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NC(=O)c2ccc3c(c2)c(c[nH]3)Br)c4[nH]nnn4

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