
 CHEMBL2348210

 69 71  0  0  0  0  0  0  0  0999 V2000
    4.5749   -9.3639   -9.5559 C   0  0  0  0  0
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    8.2449   -7.5325   -4.6052 H   0  0  0  0  0
   10.2789   -6.6796   -4.2569 H   0  0  0  0  0
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    8.3755   -3.1730   -5.8613 H   0  0  0  0  0
   12.8898   -1.3761   -3.5783 H   0  0  0  0  0
   12.2022   -1.0808   -5.1652 H   0  0  0  0  0
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   14.5113   -2.7618   -6.7134 H   0  0  0  0  0
   15.6329   -1.3980   -6.8887 H   0  0  0  0  0
   12.7255   -1.2074   -7.3481 H   0  0  0  0  0
   13.9617   -2.5288   -8.9950 H   0  0  0  0  0
   14.9278   -1.0669   -9.2791 H   0  0  0  0  0
   13.1106   -1.2660  -10.9384 H   0  0  0  0  0
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    7.3340    2.7369   -7.3833 H   0  0  0  0  0
   14.1159    0.5342   -5.9264 H   0  0  0  0  0
  1  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2348210

>  <PubChem CID>
66653395

>  <Formula>
C25H35N3O6

>  <Molecular Weight>
473.570000

>  <IUPAC Name>
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(3-hydroxyphenyl)urea

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC(C1)OCCOC2=CC=C(C=C2)OCC(CNCCNC(=O)NC3=CC(=CC=C3)O)O

>  <Isomeric SMILES>
C1CCC(C1)OCCOC2=CC=C(C=C2)OCC(CNCCNC(=O)NC3=CC(=CC=C3)O)O

>  <InChI Std. ID>
InChI=1S/C25H35N3O6/c29-20-5-3-4-19(16-20)28-25(31)27-13-12-26-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,26,29-30H,1-2,6-7,12-15,17-18H2,(H2,27,28,31)

>  <InChI Key>
AYKBRWZDRFJGIA-UHFFFAOYSA-N

