Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

KFD

Summary
Name:N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
Formula:C29 H29 N7 O3
Formal charge:0
Formula weight:523.586 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
OpenEye OEToolkits2.0.6~{N}-(2-morpholin-4-yl-6-piperidin-1-yl-1,3-benzoxazol-5-yl)-6-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7
InChIInChI1.03InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37)
InChIKeyInChI1.03WDJXZWXJDHUFQZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1cc2nc(oc2cc1N3CCCCC3)N4CCOCC4)c5cccc(n5)c6cnc7[nH]ccc7c6
SMILESCACTVS3.385O=C(Nc1cc2nc(oc2cc1N3CCCCC3)N4CCOCC4)c5cccc(n5)c6cnc7[nH]ccc7c6
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6
SMILESOpenEye OEToolkits2.0.6c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon