
 CHEMBL1270383

 62 68  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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  1 34  1  0  0  0
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  4 38  1  0  0  0
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  6 23  1  0  0  0
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  7 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1270383

>  <PubChem CID>
52943376

>  <Formula>
C28H30N2O2

>  <Molecular Weight>
426.560000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)CN2CCC34CC5=NC6=CC=CC=C6C=C5CC3(C2CC7=C4C=C(C=C7)O)O

>  <Isomeric SMILES>
C1CC(C1)CN2CC[C@]34CC5=NC6=CC=CC=C6C=C5C[C@]3([C@H]2CC7=C4C=C(C=C7)O)O

>  <InChI Std. ID>
InChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1

>  <InChI Key>
XTQJMKKUNXFEFW-JCYYIGJDSA-N

