PFW

7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline

Created:	2011-02-15
Last modified:	2011-06-04

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1 entries where PFW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	67
Chiral Atom Count	1
Bond Count	72
Aromatic Bond Count	28

2D diagram of PFW

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Chemical Component Summary
Name	7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
Systematic Name (OpenEye OEToolkits)	7-methoxy-4-[(1S,3S)-3-phenylpiperidin-1-yl]-6-(2-quinolin-2-ylethoxy)quinazoline
Formula	C₃₁ H₃₀ N₄ O₂
Molecular Weight	490.596
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cnc6c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4nc5c(cc4)cccc5)c(OC)c6
SMILES	CACTVS	3.370	COc1cc2ncnc(N3CCC[CH](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5
SMILES	OpenEye OEToolkits	1.7.0	COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)N5CCCC(C5)c6ccccc6
Canonical SMILES	CACTVS	3.370	COc1cc2ncnc(N3CCC[C@H](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6
InChI	InChI	1.03	InChI=1S/C31H30N4O2/c1-36-29-19-28-26(18-30(29)37-17-15-25-14-13-23-10-5-6-12-27(23)34-25)31(33-21-32-28)35-16-7-11-24(20-35)22-8-3-2-4-9-22/h2-6,8-10,12-14,18-19,21,24H,7,11,15-17,20H2,1H3/t24-/m1/s1
InChIKey	InChI	1.03	MUQUFIBWWXZLNL-XMMPIXPASA-N

Related Resource References

Resource Name	Reference
PubChem	53245702

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