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Summary Geometry Related PDB entries

A1A2L

Summary

Name:	1-(cyclohexylmethyl)-5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-6-carboxamide
Formula:	C26 H32 F2 N4 O
Formal charge:	0
Formula weight:	454.555 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(cyclohexylmethyl)-5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-6-carboxamide
OpenEye OEToolkits	2.0.7	5-[[2,4-bis(fluoranyl)phenyl]methyl]-1-(cyclohexylmethyl)-~{N}-[2-(dimethylamino)ethyl]indazole-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)CCNC(=O)c1cc2c(cc1Cc1ccc(F)cc1F)cnn2CC1CCCCC1
InChI	InChI	1.06	InChI=1S/C26H32F2N4O/c1-31(2)11-10-29-26(33)23-15-25-21(16-30-32(25)17-18-6-4-3-5-7-18)13-20(23)12-19-8-9-22(27)14-24(19)28/h8-9,13-16,18H,3-7,10-12,17H2,1-2H3,(H,29,33)
InChIKey	InChI	1.06	KRBANHWMWFMMPJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCNC(=O)c1cc2n(CC3CCCCC3)ncc2cc1Cc4ccc(F)cc4F
SMILES	CACTVS	3.385	CN(C)CCNC(=O)c1cc2n(CC3CCCCC3)ncc2cc1Cc4ccc(F)cc4F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)CCNC(=O)c1cc2c(cc1Cc3ccc(cc3F)F)cnn2CC4CCCCC4
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNC(=O)c1cc2c(cc1Cc3ccc(cc3F)F)cnn2CC4CCCCC4

247536

PDB entries from 2026-01-14

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