
 SCHEMBL1990572

 41 43  0  0  0  0  0  0  0  0999 V2000
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   -1.2988   -4.1527   -0.6055 C   0  0  0  0  0
   -0.2679   -3.1751   -0.4145 O   0  0  0  0  0
   -0.7951   -1.8945   -0.0057 C   0  0  0  0  0
   -1.9001   -1.4245   -0.9946 C   0  0  0  0  0
   -2.9780   -2.4123   -1.2215 N   0  0  0  0  0
   -1.1161   -1.8975    1.4840 C   0  0  0  0  0
   -0.1340   -2.3328    2.3901 C   0  0  0  0  0
   -0.3500   -2.2871    3.7734 C   0  0  0  0  0
   -1.5514   -1.7935    4.2881 C   0  0  0  0  0
   -2.5428   -1.3912    3.3946 C   0  0  0  0  0
   -2.3256   -1.4323    2.0116 C   0  0  0  0  0
   -1.6927   -1.7328    5.6914 N   0  0  0  0  0
   -2.6841   -1.0633    6.3954 C   0  0  0  0  0
   -3.5463   -0.3570    5.8899 O   0  0  0  0  0
   -2.5620   -1.3014    7.7532 N   0  0  0  0  0
   -3.3301   -0.7366    8.8026 C   0  0  0  0  0
   -4.2215    0.3245    8.6153 C   0  0  0  0  0
   -4.9558    0.8398    9.6894 C   0  0  0  0  0
   -4.8045    0.3060   10.9665 C   0  0  0  0  0
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   -3.1781   -1.2570   10.1017 C   0  0  0  0  0
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    0.8201   -2.7017    2.0147 H   0  0  0  0  0
    0.4462   -2.6217    4.4326 H   0  0  0  0  0
   -3.5067   -1.0300    3.7397 H   0  0  0  0  0
   -3.1278   -1.0732    1.3731 H   0  0  0  0  0
   -0.9033   -2.0531    6.2317 H   0  0  0  0  0
   -1.9690   -2.0715    8.0305 H   0  0  0  0  0
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   -5.6476    1.6625    9.5205 H   0  0  0  0  0
   -5.3797    0.7088   11.7963 H   0  0  0  0  0
   -3.7924   -1.1555   12.1732 H   0  0  0  0  0
  1  6  1  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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  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
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  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1990572

>  <PubChem CID>
53250593

>  <Formula>
C17H18ClN3O2

>  <Molecular Weight>
331.800000

>  <IUPAC Name>
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Cl

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C17H18ClN3O2/c18-14-3-1-2-4-15(14)21-17(22)20-13-7-5-12(6-8-13)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22)

>  <InChI Key>
ACDGMCATSDGQGX-UHFFFAOYSA-N

