H4W

6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

Created:	2011-11-22
Last modified:	2011-11-22

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1 entries where H4W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	12

2D diagram of H4W

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Chemical Component Summary
Name	6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[(3R,4R)-4-[5-(3-fluorophenyl)pentoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine
Formula	C₂₂ H₃₀ F N₃ O
Molecular Weight	371.492
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCCCCOC2C(CNC2)Cc3nc(N)cc(c3)C
SMILES	CACTVS	3.370	Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cccc(F)c3)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cccc(c3)F
Canonical SMILES	CACTVS	3.370	Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(F)c3)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F
InChI	InChI	1.03	InChI=1S/C22H30FN3O/c1-16-10-20(26-22(24)11-16)13-18-14-25-15-21(18)27-9-4-2-3-6-17-7-5-8-19(23)12-17/h5,7-8,10-12,18,21,25H,2-4,6,9,13-15H2,1H3,(H2,24,26)/t18-,21+/m1/s1
InChIKey	InChI	1.03	AQTALODLFZOZJL-NQIIRXRSSA-N

Related Resource References

Resource Name	Reference
PubChem	57345904

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