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Summary Geometry Related PDB entries

N6V

Summary

Name:	N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
Formula:	C19 H25 N5 O2
Formal charge:	0
Formula weight:	355.434 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits	2.0.6	1-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc(C)on3)=O
InChI	InChI	1.03	InChI=1S/C19H25N5O2/c1-4-23(5-2)10-11-24-9-8-15-13-16(6-7-17(15)24)20-19(25)21-18-12-14(3)26-22-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,25)
InChIKey	InChI	1.03	ORYDIOADGVZPNI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc12
SMILES	CACTVS	3.385	CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C
SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C

222926

數據於2024-07-24公開中

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