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Summary Geometry Related PDB entries

YG7

Summary

Name:	5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
Formula:	C26 H27 N5 O2
Formal charge:	0
Formula weight:	441.525 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
OpenEye OEToolkits	2.0.7	5-[4-[4-(5-cyano-1~{H}-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccc2[NH]cc(CCCCN3CCN(CC3)c3cc4cc(oc4cc3)C(N)=O)c2c1
InChI	InChI	1.03	InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
InChIKey	InChI	1.03	SGEGOXDYSFKCPT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1oc2ccc(cc2c1)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3
SMILES	CACTVS	3.385	NC(=O)c1oc2ccc(cc2c1)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N

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