
 CHEMBL1078735

 49 51  0  0  0  0  0  0  0  0999 V2000
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    1.4157    0.1267   -4.4932 C   0  0  0  0  0
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   -2.5534   -1.7668   -3.1458 C   0  0  0  0  0
   -2.1643   -0.6607   -3.8525 N   0  0  0  0  0
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    0.6907   -5.7460    0.1598 N   0  0  0  0  0
    1.5510   -4.5854    0.0878 C   0  0  0  0  0
    1.8406   -4.0746    1.4971 C   0  0  0  0  0
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    3.9793    0.0146    2.9385 C   0  0  0  0  0
    5.1818    0.6722    2.9215 N   0  0  0  0  0
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    5.5262   -1.5146    2.8655 N   0  0  0  0  0
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    0.0768   -9.1553    0.7284 N   0  0  0  0  0
    3.0204   -1.1245   -3.7968 H   0  0  0  0  0
    2.0870    0.8397   -4.9664 H   0  0  0  0  0
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    3.7395   -3.2060    0.9382 H   0  0  0  0  0
    3.6391   -3.3345    3.4469 H   0  0  0  0  0
    2.2988   -2.1943    3.4531 H   0  0  0  0  0
    3.0440    0.5584    2.9756 H   0  0  0  0  0
    7.1631   -0.1199    2.8530 H   0  0  0  0  0
    6.0264   -2.3923    2.8342 H   0  0  0  0  0
   -1.9754   -6.8758    1.1561 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  4  9  1  0  0  0
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  7  8  2  0  0  0
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  9 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1078735

>  <PubChem CID>
44482297

>  <Formula>
C19H23N7

>  <Molecular Weight>
349.442000

>  <IUPAC Name>
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CN2)CCNC(=NCCCCC3=CN=CN3)NC#N

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CN2)CCNC(=NCCCCC3=CN=CN3)NC#N

>  <InChI Std. ID>
InChI=1S/C19H23N7/c20-13-25-19(22-9-4-3-5-16-12-21-14-26-16)23-10-8-15-11-24-18-7-2-1-6-17(15)18/h1-2,6-7,11-12,14,24H,3-5,8-10H2,(H,21,26)(H2,22,23,25)

>  <InChI Key>
BMCMMMRTWLCMFW-UHFFFAOYSA-N

