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499

Summary

Name:	5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
Formula:	C17 H12 N6 O
Formal charge:	0
Formula weight:	316.317 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
OpenEye OEToolkits	1.9.2	5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nc(oc1c4cnc5ncc(c3c2ccccc2nc3)cc45)N
InChI	InChI	1.03	InChI=1S/C17H12N6O/c18-17-23-22-16(24-17)13-8-21-15-11(13)5-9(6-20-15)12-7-19-14-4-2-1-3-10(12)14/h1-8,19H,(H2,18,23)(H,20,21)
InChIKey	InChI	1.03	UQPVGCWCXPFUTD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1oc(nn1)c2c[nH]c3ncc(cc23)c4c[nH]c5ccccc45
SMILES	CACTVS	3.385	Nc1oc(nn1)c2c[nH]c3ncc(cc23)c4c[nH]c5ccccc45
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N

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