TWM

4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide

Created:	2020-04-02
Last modified:	2020-07-22

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1 entries where TWM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	16

2D diagram of TWM

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Chemical Component Summary
Name	4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
Systematic Name (OpenEye OEToolkits)	4-[[3-[(dimethylamino)methyl]indol-1-yl]methyl]-~{N}-oxidanyl-benzamide
Formula	C₁₉ H₂₁ N₃ O₂
Molecular Weight	323.389
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3
SMILES	CACTVS	3.385	CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES	OpenEye OEToolkits	2.0.7	CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO
Canonical SMILES	CACTVS	3.385	CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
InChIKey	InChI	1.03	LYCCCRFBRDLGGA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4066920
PubChem	137634156
ChEMBL	CHEMBL4066920

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.