UGT

N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide

Created:	2015-03-22
Last modified:	2015-06-24

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1 entries where UGT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	11

2D diagram of UGT

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Chemical Component Summary
Name	N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
Systematic Name (OpenEye OEToolkits)	N'-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
Formula	C₁₆ H₁₉ N₃ O S
Molecular Weight	301.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3
Canonical SMILES	CACTVS	3.385	NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3
InChI	InChI	1.03	InChI=1S/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)/t14-/m1/s1
InChIKey	InChI	1.03	OOJUYDKIKUNGMC-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	91808030

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