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Summary Geometry Related PDB entries

5BD

Summary

Name:	N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
Formula:	C22 H24 N4 O4
Formal charge:	0
Formula weight:	408.45 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
OpenEye OEToolkits	1.5.0	2-dimethylamino-N-[7-(2-dimethylaminoethanoylamino)-9,10-dioxo-anthracen-2-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C
SMILES_CANONICAL	CACTVS	3.341	CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1
SMILES	CACTVS	3.341	CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C
SMILES	OpenEye OEToolkits	1.5.0	CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C
InChI	InChI	1.03	InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKey	InChI	1.03	BQUQDCVNESTXAU-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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