
 CHEMBL3215911

 83 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3215911

>  <PubChem CID>
90664479

>  <Formula>
C35H39Cl2N3O4

>  <Molecular Weight>
636.614000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CN2CCC34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)N(C6C(=O)NC8=CC=CC=C8)CC9=CC=CC=C9)O.Cl.Cl

>  <Isomeric SMILES>
C1CC1CN2CC[C@]34[C@@H]5[C@]6(CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)N([C@H]6C(=O)NC8=CC=CC=C8)CC9=CC=CC=C9)O.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C35H37N3O4.2ClH/c39-26-14-13-24-19-27-35-16-15-34(41,32-33(35,28(24)29(26)42-32)17-18-37(27)20-23-11-12-23)30(31(40)36-25-9-5-2-6-10-25)38(35)21-22-7-3-1-4-8-22;;/h1-10,13-14,23,27,30,32,39,41H,11-12,15-21H2,(H,36,40);2*1H/t27-,30+,32-,33+,34-,35-;;/m1../s1

>  <InChI Key>
AKAMZPLWYUFWFA-TYLFJNAPSA-N

