6X0

4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

Created:	2016-07-12
Last modified:	2017-02-22

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1 entries where 6X0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	1
Bond Count	74
Aromatic Bond Count	21

2D diagram of 6X0

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Chemical Component Summary
Name	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula	C₂₉ H₃₃ N₃ O₄ S
Molecular Weight	519.655
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4
SMILES	OpenEye OEToolkits	2.0.5	CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OCC5CCNC5)COC
Canonical SMILES	CACTVS	3.385	CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[C@@H]5CCNC5)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC
InChI	InChI	1.03	InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
InChIKey	InChI	1.03	XTIUXFVWQDSKHY-HXUWFJFHSA-N

Related Resource References

Resource Name	Reference
PubChem	118918087
ChEMBL	CHEMBL4069817

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