Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

NT6

Summary
Name:(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide
Formula:C16 H18 Cl2 N2 O
Formal charge:0
Formula weight:325.233 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-[4,5-bis(chloranyl)pyridin-2-yl]adamantane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI1.03InChI=1S/C16H18Cl2N2O/c17-12-4-14(19-8-13(12)18)20-15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H,19,20,21)/t9-,10+,11-,16-
InChIKeyInChI1.03RBBBMHRIAFVEFR-XMEMTASGSA-N
SMILES_CANONICALCACTVS3.385Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
SMILESCACTVS3.385Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon