E11

N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine

Created:	2010-04-23
Last modified:	2011-06-04

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2 entries where E11 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	0
Bond Count	76
Aromatic Bond Count	17

2D diagram of E11

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Chemical Component Summary
Name	N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	N2-[3-(dimethylamino)propyl]-6,7-dimethoxy-N4-[1-(phenylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
Formula	C₂₇ H₃₈ N₆ O₂
Molecular Weight	478.63
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c4cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)NCCCN(C)C)cc4OC)C
SMILES	CACTVS	3.370	COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC
SMILES	OpenEye OEToolkits	1.7.0	CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC
Canonical SMILES	CACTVS	3.370	COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC
InChI	InChI	1.03	InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31)
InChIKey	InChI	1.03	YYFDMPHIONBOKZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1232432
PubChem	46174171
ChEMBL	CHEMBL1232432

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