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Summary Geometry Related PDB entries

2OD

Summary

Name:	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
Formula:	C19 H27 N3 O2
Formal charge:	0
Formula weight:	329.437 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
OpenEye OEToolkits	1.7.6	5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c2cc1N=C(N)C3(c1cc2OC)CCC3)CCCN4CCCC4
InChI	InChI	1.03	InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChIKey	InChI	1.03	BKCDJTRMYWSXMC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2c(cc1OCCCN3CCCC3)N=C(N)C24CCC4
SMILES	CACTVS	3.385	COc1cc2c(cc1OCCCN3CCCC3)N=C(N)C24CCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N
SMILES	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N

226707

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