
 CHEMBL3216801

 76 81  0  0  0  0  0  0  0  0999 V2000
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    4.3355   -1.7075    4.5591 H   0  0  0  0  0
    6.2253   -0.2857    1.9826 H   0  0  0  0  0
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    9.7949   -1.3216    0.3963 H   0  0  0  0  0
   10.3203    0.0824   -1.5639 H   0  0  0  0  0
    9.4203    2.3853   -1.7282 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3216801

>  <PubChem CID>
90664984

>  <Formula>
C30H37Cl2N3O4

>  <Molecular Weight>
574.543000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CN2CCC34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)NC6CC(=O)NCC8=CC=CC=C8)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]6CC(=O)NCC8=CC=CC=C8)O.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C30H35N3O4.2ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);2*1H/t22-,23-,27-,28-,29-,30-;;/m1../s1

>  <InChI Key>
CUTWWQXZKYKZEW-XWBIGBEQSA-N

