
 CHEMBL323258

 85 88  0  0  0  0  0  0  0  0999 V2000
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   17.6443    1.8836    1.9678 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL323258

>  <PubChem CID>
10302342

>  <Formula>
C31H46N4O4

>  <Molecular Weight>
538.733000

>  <IUPAC Name>
N-(3-cyclopentylpropyl)-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(C1)CCCNC(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCNCC(COC4=CC=C(C=C4)O)O

>  <Isomeric SMILES>
C1CCC(C1)CCCNC(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCNC[C@@H](COC4=CC=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1

>  <InChI Key>
BHPUXRYSUZIAEJ-LJAQVGFWSA-N

