FWA

6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole

Created:	2018-04-23
Last modified:	2018-09-19

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1 entries where FWA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	71
Aromatic Bond Count	16

2D diagram of FWA

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Chemical Component Summary
Name	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	6-chloranyl-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoranyl-3,5-dimethyl-phenyl)methyl]-4-(4-methylpiperazin-1-yl)benzimidazole
Formula	C₂₆ H₃₂ Cl F N₆
Molecular Weight	483.024
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCN(CC1)C)c2cc(Cl)cc6c2nc(N3CC4(C3)CNC4)n6Cc5cc(C)c(c(C)c5)F
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CC6(CNC6)C5
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CC6(CNC6)C5
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl
InChI	InChI	1.03	InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3
InChIKey	InChI	1.03	JWZAQUXBYYOGFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4213025
PubChem	134814234
ChEMBL	CHEMBL4213025

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