
 CHEMBL41192

 47 47  0  0  0  0  0  0  0  0999 V2000
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    1.6112    1.9809    0.1041 C   0  0  0  0  0
    2.7823    2.1064   -0.7851 N   0  0  0  0  0
    2.4521    2.2117   -2.2100 C   0  0  0  0  0
    1.5805    3.3941   -2.6138 C   0  0  0  0  0
    3.6718    3.1730   -0.2709 C   0  0  0  0  0
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    5.8285    4.3446   -0.3393 N   0  0  0  0  0
    6.1226    5.6030   -0.4148 C   0  0  0  0  0
    5.5057    6.6421   -1.3200 C   0  0  0  0  0
    4.1238    6.6160   -1.5409 C   0  0  0  0  0
    3.5054    7.5720   -2.3495 C   0  0  0  0  0
    4.2448    8.5997   -2.9456 C   0  0  0  0  0
    5.6094    8.6829   -2.6492 C   0  0  0  0  0
    6.2590    7.7006   -1.8763 C   0  0  0  0  0
    7.6143    7.7063   -1.6625 O   0  0  0  0  0
    8.3405    8.8761   -2.0199 C   0  0  0  0  0
    3.6251    9.6615   -3.6303 N   0  0  0  0  0
    1.8014    7.4435   -2.6249 Cl  0  0  0  0  0
    7.1297    5.9601    0.4654 N   0  0  0  0  0
    6.8294    7.0947    1.2308 O   0  0  0  0  0
    8.0755    7.5623    1.7441 C   0  0  0  0  0
   -0.0988    0.7389    0.5394 H   0  0  0  0  0
    1.2087   -0.1208   -0.2897 H   0  0  0  0  0
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    4.0534    2.8366    0.7028 H   0  0  0  0  0
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    4.6015    4.0661   -2.0629 H   0  0  0  0  0
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    6.1563    9.5308   -3.0465 H   0  0  0  0  0
    8.3453    9.0186   -3.1053 H   0  0  0  0  0
    9.3786    8.7374   -1.7020 H   0  0  0  0  0
    7.9517    9.7611   -1.5044 H   0  0  0  0  0
    4.2166   10.1347   -4.3056 H   0  0  0  0  0
    2.7194    9.4012   -4.0179 H   0  0  0  0  0
    7.3389    5.1512    1.0480 H   0  0  0  0  0
    7.8874    8.4615    2.3364 H   0  0  0  0  0
    8.7608    7.8189    0.9299 H   0  0  0  0  0
    8.5309    6.8072    2.3936 H   0  0  0  0  0
  1  2  1  0  0  0
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  7 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL41192

>  <PubChem CID>
14116952

>  <Formula>
C15H25ClN4O2

>  <Molecular Weight>
328.841000

>  <IUPAC Name>
4-amino-5-chloro-N'-[2-(diethylamino)ethyl]-N,2-dimethoxybenzenecarboximidamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCN=C(C1=CC(=C(C=C1OC)N)Cl)NOC

>  <Isomeric SMILES>
CCN(CC)CCN=C(C1=CC(=C(C=C1OC)N)Cl)NOC

>  <InChI Std. ID>
InChI=1S/C15H25ClN4O2/c1-5-20(6-2)8-7-18-15(19-22-4)11-9-12(16)13(17)10-14(11)21-3/h9-10H,5-8,17H2,1-4H3,(H,18,19)

>  <InChI Key>
UEOPSCRGHLYAHM-UHFFFAOYSA-N

