
 CHEMBL444149

 87 94  0  0  0  0  0  0  0  0999 V2000
    6.7764    9.3080   -7.6618 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL444149

>  <PubChem CID>
44567598

>  <Formula>
C38H40N2O7

>  <Molecular Weight>
636.745000

>  <IUPAC Name>
(6aR)-2-[2-[2-[[(6aR)-10,11-dihydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2-yl]oxy]ethoxy]ethoxy]-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN1CCC2=C3C1CC4=C(C3=CC(=C2)OCCOCCOC5=CC6=C7C(CC8=C(C7=C5)C(=C(C=C8)O)O)N(CC6)C)C(=C(C=C4)O)O

>  <Isomeric SMILES>
CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)OCCOCCOC5=CC6=C7[C@@H](CC8=C(C7=C5)C(=C(C=C8)O)O)N(CC6)C)C(=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C38H40N2O7/c1-39-9-7-23-15-25(19-27-33(23)29(39)17-21-3-5-31(41)37(43)35(21)27)46-13-11-45-12-14-47-26-16-24-8-10-40(2)30-18-22-4-6-32(42)38(44)36(22)28(20-26)34(24)30/h3-6,15-16,19-20,29-30,41-44H,7-14,17-18H2,1-2H3/t29-,30-/m1/s1

>  <InChI Key>
GJLNFWNMAQBYPC-LOYHVIPDSA-N

