Q26

N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide

Created:	2011-07-26
Last modified:	2011-07-26

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1 entries where Q26 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	23

2D diagram of Q26

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Chemical Component Summary
Name	N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[3-[3-[2,4-bis(azanyl)quinazolin-7-yl]-4-ethoxy-phenyl]phenyl]methanesulfonamide
Formula	C₂₃ H₂₃ N₅ O₃ S
Molecular Weight	449.525
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc1cccc(c1)c4cc(c3ccc2c(nc(nc2N)N)c3)c(OCC)cc4)C
SMILES	CACTVS	3.370	CCOc1ccc(cc1c2ccc3c(N)nc(N)nc3c2)c4cccc(N[S](C)(=O)=O)c4
SMILES	OpenEye OEToolkits	1.7.2	CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.370	CCOc1ccc(cc1c2ccc3c(N)nc(N)nc3c2)c4cccc(N[S](C)(=O)=O)c4
Canonical SMILES	OpenEye OEToolkits	1.7.2	CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C23H23N5O3S/c1-3-31-21-10-8-15(14-5-4-6-17(11-14)28-32(2,29)30)12-19(21)16-7-9-18-20(13-16)26-23(25)27-22(18)24/h4-13,28H,3H2,1-2H3,(H4,24,25,26,27)
InChIKey	InChI	1.03	KBZJKRXRDPRBNM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1818127
PubChem	53346510
ChEMBL	CHEMBL1818127

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