
 CHEMBL107382

 76 79  0  0  0  0  0  0  0  0999 V2000
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    0.3458    0.1425    4.3021 H   0  0  0  0  0
    0.5604    2.4780    1.4161 H   0  0  0  0  0
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    3.4179    3.3344    5.3643 H   0  0  0  0  0
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    6.9678    5.8817    1.2836 H   0  0  0  0  0
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    7.4044    8.2935    1.8487 H   0  0  0  0  0
    8.9802    8.7057    3.8133 H   0  0  0  0  0
    8.6332    7.0544    4.3725 H   0  0  0  0  0
    5.3229    9.9698    5.4591 H   0  0  0  0  0
    5.3335   10.9356    7.7435 H   0  0  0  0  0
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    7.8951   10.1818   10.0544 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL107382

>  <PubChem CID>
10209574

>  <Formula>
C30H36F2N4O4

>  <Molecular Weight>
554.639000

>  <IUPAC Name>
N-[(2,5-difluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1NC2=CC=C(C=C2)CCNCC(COC3=CC=C(C=C3)O)O)C(=O)NCC4=C(C=CC(=C4)F)F

>  <Isomeric SMILES>
C1CN(CCC1NC2=CC=C(C=C2)CCNC[C@@H](COC3=CC=C(C=C3)O)O)C(=O)NCC4=C(C=CC(=C4)F)F

>  <InChI Std. ID>
InChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1

>  <InChI Key>
ATODTSRMPBDUGC-MHZLTWQESA-N

