
 CHEMBL282129

101106  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL282129

>  <PubChem CID>
10580397

>  <Formula>
C42H51N3O5

>  <Molecular Weight>
677.886000

>  <IUPAC Name>
N'-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]pentane-1,5-diamine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2C(OC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCC5=CNC6=CC=CC=C65)CNCCCCCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCC5=CNC6=CC=CC=C65)CNCCCCCN

>  <InChI Std. ID>
InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1

>  <InChI Key>
BOPFKNIUSGFFMZ-QBLDGPCBSA-N

