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Summary Geometry Related PDB entries

6BB

Summary

Name:	4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine
Formula:	C20 H21 F N4 O
Formal charge:	0
Formula weight:	352.405 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine
OpenEye OEToolkits	2.0.4	4-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(piperidin-4-ylmethoxy)pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(c1ccncc1OCC2CCNCC2)cnn(c3)c4c(F)cccc4
InChI	InChI	1.03	InChI=1S/C20H21FN4O/c21-18-3-1-2-4-19(18)25-13-16(11-24-25)17-7-10-23-12-20(17)26-14-15-5-8-22-9-6-15/h1-4,7,10-13,15,22H,5-6,8-9,14H2
InChIKey	InChI	1.03	GZSRUYQFWHDLJI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccccc1n2cc(cn2)c3ccncc3OCC4CCNCC4
SMILES	CACTVS	3.385	Fc1ccccc1n2cc(cn2)c3ccncc3OCC4CCNCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F

223532

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