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

I5T

Summary
Name:4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
Formula:C23 H24 N2 O3
Formal charge:0
Formula weight:376.448 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.64-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H24N2O3/c26-20-15-23(28-21-9-5-4-8-17(20)21)10-12-25(13-11-23)22(27)24-19-14-18(19)16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27)/t18-,19+/m1/s1
InChIKeyInChI1.03SWEAYHBSAXRXDZ-MOPGFXCFSA-N
SMILES_CANONICALCACTVS3.385O=C1CC2(CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4)Oc5ccccc15
SMILESCACTVS3.385O=C1CC2(CCN(CC2)C(=O)N[CH]3C[CH]3c4ccccc4)Oc5ccccc15
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2CC2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon