
 CHEMBL318213

 67 75  0  0  0  0  0  0  0  0999 V2000
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    6.7828    3.8638    3.8839 H   0  0  0  0  0
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  1  2  1  0  0  0
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  3  4  1  0  0  0
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 37 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL318213

>  <PubChem CID>
44329399

>  <Formula>
C32H30N2O3

>  <Molecular Weight>
490.603000

>  <IUPAC Name>


>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(C=CC=C8N6)C9=CC=CC=C9

>  <Isomeric SMILES>
C1CC1CN2CC[C@]34C5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(C=CC=C8N6)C9=CC=CC=C9

>  <InChI Std. ID>
InChI=1S/C32H30N2O3/c35-24-12-11-20-15-25-32(36)16-22-26-21(19-5-2-1-3-6-19)7-4-8-23(26)33-28(22)30-31(32,27(20)29(24)37-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1

>  <InChI Key>
BODOIOJWEKAOMM-OBSSAXLPSA-N

