
 CHEMBL79443

 66 73  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL79443

>  <PubChem CID>
44460395

>  <Formula>
C29H32N2O3

>  <Molecular Weight>
456.586000

>  <IUPAC Name>


>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6

>  <Isomeric SMILES>
C1CCC(CC1)CN2CCC34C5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6

>  <InChI Std. ID>
InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1

>  <InChI Key>
BUCQPZTYYWJXTA-DDFVDHOESA-N

