
 CHEMBL442210

 62 66  0  0  0  0  0  0  0  0999 V2000
    3.6909   -5.1632    1.6186 C   0  0  0  0  0
    2.2272   -5.0121    1.2059 C   0  0  0  0  0
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   -8.1186   -4.0885    1.0661 N   0  0  0  0  0
    4.1737   -4.1767    1.5903 H   0  0  0  0  0
    3.7541   -5.4940    2.6602 H   0  0  0  0  0
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    4.5025   -8.1812    0.0152 H   0  0  0  0  0
    2.9043   -7.6773    0.4793 H   0  0  0  0  0
    6.1926   -8.8408    1.7263 H   0  0  0  0  0
    6.5166   -9.8569    3.9538 H   0  0  0  0  0
    4.6871   -9.8100    5.6282 H   0  0  0  0  0
    2.5120   -8.7625    5.0569 H   0  0  0  0  0
    2.1585   -7.7765    2.8299 H   0  0  0  0  0
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   -8.9273   -2.6958    3.7508 H   0  0  0  0  0
   -8.3782   -4.3862    0.1322 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
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 22 23  2  0  0  0
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 25 30  1  0  0  0
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 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 33  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
 31 32  2  0  0  0
 31 61  1  0  0  0
 32 33  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL442210

>  <PubChem CID>
11091447

>  <Formula>
C27H29N5O

>  <Molecular Weight>
439.563000

>  <IUPAC Name>
1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(1H-indazol-6-yl)urea

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3NC(=O)NC4=CC5=C(C=C4)C=NN5

>  <Isomeric SMILES>
C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3NC(=O)NC4=CC5=C(C=C4)C=NN5

>  <InChI Std. ID>
InChI=1S/C27H29N5O/c33-27(29-24-11-10-22-18-28-31-26(22)17-24)30-25-9-5-4-8-23(25)19-32-14-12-21(13-15-32)16-20-6-2-1-3-7-20/h1-11,17-18,21H,12-16,19H2,(H,28,31)(H2,29,30,33)

>  <InChI Key>
CVKJENRAWSRXRF-UHFFFAOYSA-N

