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Summary Geometry Related PDB entries

ZL5

Summary

Name:	3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
Formula:	C18 H14 F4 N6
Formal charge:	0
Formula weight:	390.338 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
OpenEye OEToolkits	2.0.7	3-[2-fluoranyl-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]indazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1
InChI	InChI	1.03	InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3
InChIKey	InChI	1.03	MMEFXWUINPSTPN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1
SMILES	CACTVS	3.385	Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C

227344

数据于2024-11-13公开中

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