5WD

3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid

Created:	2015-12-15
Last modified:	2016-10-26

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1 entries where 5WD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	16

2D diagram of 5WD

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Chemical Component Summary
Name	3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid
Formula	C₁₇ H₁₄ N₂ O₄
Molecular Weight	310.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1
SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N
InChI	InChI	1.03	InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)
InChIKey	InChI	1.03	JPBFPBAFCGZOAS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122164797
ChEMBL	CHEMBL4068335

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