
 CHEMBL512543

 69 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL512543

>  <PubChem CID>
44590518

>  <Formula>
C27H32FN3O6

>  <Molecular Weight>
513.566000

>  <IUPAC Name>
N-(2,4-dimethoxyphenyl)-3-[(dimethylamino)methyl]-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]furan-2-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(CNC(=O)C(C1=CC=CC=C1F)N(C2=C(C=C(C=C2)OC)OC)C(=O)C3=C(C=CO3)CN(C)C)O

>  <Isomeric SMILES>
C[C@H](CNC(=O)C(C1=CC=CC=C1F)N(C2=C(C=C(C=C2)OC)OC)C(=O)C3=C(C=CO3)CN(C)C)O

>  <InChI Std. ID>
InChI=1S/C27H32FN3O6/c1-17(32)15-29-26(33)24(20-8-6-7-9-21(20)28)31(22-11-10-19(35-4)14-23(22)36-5)27(34)25-18(12-13-37-25)16-30(2)3/h6-14,17,24,32H,15-16H2,1-5H3,(H,29,33)/t17-,24?/m1/s1

>  <InChI Key>
AZNZYQZNZJASCI-BPNWFJGMSA-N

