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

MKA

Summary
Name:4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
Formula:C22 H25 F N4 O2
Formal charge:0
Formula weight:396.458 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
OpenEye OEToolkits2.0.74-fluoranyl-~{N}-[(2~{S})-1-[4-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4ccc3c(N(C2CCN(CC(C)NC(=O)c1ccc(cc1)F)CC2)C(=O)N3)c4
InChIInChI1.03InChI=1S/C22H25FN4O2/c1-15(24-21(28)16-6-8-17(23)9-7-16)14-26-12-10-18(11-13-26)27-20-5-3-2-4-19(20)25-22(27)29/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1
InChIKeyInChI1.03KKKBWVASRHMJPO-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](CN1CCC(CC1)N2C(=O)Nc3ccccc23)NC(=O)c4ccc(F)cc4
SMILESCACTVS3.385C[CH](CN1CCC(CC1)N2C(=O)Nc3ccccc23)NC(=O)c4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.7CC(CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon