
 CHEMBL3220892

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.8238   -4.3299   -7.1149 C   0  0  0  0  0
    1.7382   -3.5996   -6.1186 C   0  0  0  0  0
    0.9820   -3.3974   -4.7987 C   0  0  0  0  0
    1.7084   -2.4873   -3.8276 C   0  0  0  0  0
    1.8096   -1.2767   -4.0150 O   0  0  0  0  0
    2.2907   -3.1660   -2.7698 N   0  0  0  0  0
    2.7290   -2.6253   -1.5881 C   0  0  0  0  0
    3.3888   -3.2959   -0.7139 N   0  0  0  0  0
    3.8452   -4.6616   -0.9288 C   0  0  0  0  0
    2.8957   -5.6425   -0.2526 C   0  0  0  0  0
    3.3870   -7.0759   -0.4325 C   0  0  0  0  0
    2.5029   -8.0390    0.1899 N   0  0  0  0  0
    1.4568   -8.6826   -0.4080 C   0  0  0  0  0
    0.9280   -9.4842    0.5771 C   0  0  0  0  0
    1.6361   -9.3528    1.7438 N   0  0  0  0  0
    2.5803   -8.4779    1.4801 C   0  0  0  0  0
    2.4416   -1.3313   -1.3242 N   0  0  0  0  0
    3.0752   -4.3037   -5.9240 C   0  0  0  0  0
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    5.6025   -5.5112   -5.6256 C   0  0  0  0  0
    5.4859   -4.1251   -5.6014 C   0  0  0  0  0
    4.2335   -3.5261   -5.7502 C   0  0  0  0  0
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    4.3828   -7.2098    0.0059 H   0  0  0  0  0
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    3.0366   -0.9228   -0.6096 H   0  0  0  0  0
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    4.5575   -7.3812   -5.8193 H   0  0  0  0  0
    6.5805   -5.9768   -5.5328 H   0  0  0  0  0
    6.3719   -3.5058   -5.4821 H   0  0  0  0  0
    4.1710   -2.4384   -5.7432 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3220892

>  <PubChem CID>
90667434

>  <Formula>
C17H23N5O

>  <Molecular Weight>
313.405000

>  <IUPAC Name>
N-[N'-(3-imidazol-1-ylpropyl)carbamimidoyl]-3-phenylbutanamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC(=O)NC(=NCCCN1C=CN=C1)N)C2=CC=CC=C2

>  <Isomeric SMILES>
CC(CC(=O)NC(=NCCCN1C=CN=C1)N)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H23N5O/c1-14(15-6-3-2-4-7-15)12-16(23)21-17(18)20-8-5-10-22-11-9-19-13-22/h2-4,6-7,9,11,13-14H,5,8,10,12H2,1H3,(H3,18,20,21,23)

>  <InChI Key>
AEOZDVJZTYYDHL-UHFFFAOYSA-N

