
 CHEMBL610539

 89 98  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL610539

>  <PubChem CID>
46877651

>  <Formula>
C38H43N3O5

>  <Molecular Weight>
621.778000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=C(CC3CN(CCC3C2)C(=O)OCC4=CC=CC=C4)C5=C1C6C78CCN(C(C7(C5)O)CC9=C8C(=C(C=C9)O)O6)CC1CC1

>  <Isomeric SMILES>
CN1C2=C(C[C@H]3CN(CC[C@@H]3C2)C(=O)OCC4=CC=CC=C4)C5=C1[C@H]6[C@@]78CCN([C@@H]([C@@]7(C5)O)CC9=C8C(=C(C=C9)O)O6)CC1CC1

>  <InChI Std. ID>
InChI=1S/C38H43N3O5/c1-39-29-16-24-11-13-41(36(43)45-21-23-5-3-2-4-6-23)20-26(24)15-27(29)28-18-38(44)31-17-25-9-10-30(42)34-32(25)37(38,35(46-34)33(28)39)12-14-40(31)19-22-7-8-22/h2-6,9-10,22,24,26,31,35,42,44H,7-8,11-21H2,1H3/t24-,26+,31-,35+,37+,38-/m1/s1

>  <InChI Key>
BCPUGGCDIQTIQA-NDKXRCAUSA-N

