F5Q

4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide

Created:	2018-06-01
Last modified:	2018-09-26

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1 entries where F5Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	0
Bond Count	78
Aromatic Bond Count	17

2D diagram of F5Q

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Chemical Component Summary
Name	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
Formula	C₂₉ H₃₈ N₄ O₂ S
Molecular Weight	506.703
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1
SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5
Canonical SMILES	CACTVS	3.385	CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5
InChI	InChI	1.03	InChI=1S/C29H38N4O2S/c1-32-21-16-24(17-22-32)8-3-2-7-23-10-12-25(13-11-23)36(34,35)31-29-26-9-6-18-30-27(26)14-15-28(29)33-19-4-5-20-33/h6,9-15,18,24,31H,2-5,7-8,16-17,19-22H2,1H3
InChIKey	InChI	1.03	HRSWREJECUVHPS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134817545
ChEMBL	CHEMBL4237767

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