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L11

Summary
Name:N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
Formula:C23 H25 Cl F N3 O3
Formal charge:0
Formula weight:445.914 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R,5S)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}-3-fluoro-5-morpholin-4-ylcyclohex-1-ene-1-carboxamide
OpenEye OEToolkits1.5.0N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-yl-cyclohexene-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N3CCOCC3)C4
SMILES_CANONICALCACTVS3.341F[C@@H]1C[C@H](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)N4CCOCC4
SMILESCACTVS3.341F[CH]1C[CH](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F
SMILESOpenEye OEToolkits1.5.0c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F
InChIInChI1.03InChI=1S/C23H25ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-11,14,18,20H,6-9,12-13,15H2,(H,27,29)/t18-,20-/m0/s1
InChIKeyInChI1.03YQJVDUKATDECHF-ICSRJNTNSA-N

222415

PDB entries from 2024-07-10

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