
 CHEMBL2315356

 66 68  0  0  0  0  0  0  0  0999 V2000
    7.0396   -1.7714    0.9461 C   0  0  0  0  0
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    0.8586    2.8637    4.2123 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2315356

>  <PubChem CID>
71718579

>  <Formula>
C25H30ClF3N2O5

>  <Molecular Weight>
530.969000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(CCCC1(C2CCN(C1CC3=C2C(=C(C=C3)O)O)CC(F)(F)F)O)C(=O)C=CC4=COC=C4.Cl

>  <Isomeric SMILES>
CN(CCC[C@@]1([C@H]2CCN([C@@H]1CC3=C2C(=C(C=C3)O)O)CC(F)(F)F)O)C(=O)/C=C/C4=COC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C25H29F3N2O5.ClH/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18;/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3;1H/b6-3+;/t18-,20+,24-;/m0./s1

>  <InChI Key>
BDERJZADYUBBIL-MLKCUUANSA-N

