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Summary Geometry Related PDB entries

8JM

Summary

Name:	4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
Formula:	C20 H18 N4 O
Formal charge:	0
Formula weight:	330.383 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
OpenEye OEToolkits	2.0.6	4-[2-azanyl-4-ethyl-5-(1~{H}-indazol-5-yl)pyridin-3-yl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N
InChI	InChI	1.03	InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKey	InChI	1.03	ZHYXJQQBKROZDX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
SMILES	CACTVS	3.385	CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4
SMILES	OpenEye OEToolkits	2.0.6	CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4

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