
 CHEMBL2203618

 64 69  0  0  0  0  0  0  0  0999 V2000
   -3.6227   -1.3648   -6.7469 C   0  0  0  0  0
   -2.9241   -0.6682   -5.6373 C   0  0  0  0  0
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    1.6615   -6.3542   -1.3526 H   0  0  0  0  0
    0.2707   -8.0198   -3.5078 H   0  0  0  0  0
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    5.7455   -9.4713   -4.9348 H   0  0  0  0  0
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   -0.4435  -12.1631   -1.3084 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
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  6  7  2  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2203618

>  <PubChem CID>
11690481

>  <Formula>
C27H32N4O

>  <Molecular Weight>
428.580000

>  <IUPAC Name>
N-[(1S)-3-[(1S,5R)-6-(2-methylbenzimidazol-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-phenylpropyl]cyclobutanecarboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=CC=CC=C2N1C3C4C3CN(C4)CCC(C5=CC=CC=C5)NC(=O)C6CCC6

>  <Isomeric SMILES>
CC1=NC2=CC=CC=C2N1C3[C@H]4[C@@H]3CN(C4)CC[C@@H](C5=CC=CC=C5)NC(=O)C6CCC6

>  <InChI Std. ID>
InChI=1S/C27H32N4O/c1-18-28-24-12-5-6-13-25(24)31(18)26-21-16-30(17-22(21)26)15-14-23(19-8-3-2-4-9-19)29-27(32)20-10-7-11-20/h2-6,8-9,12-13,20-23,26H,7,10-11,14-17H2,1H3,(H,29,32)/t21-,22+,23-,26?/m0/s1

>  <InChI Key>
ABQNQYIWXKWYGD-CAQDGQBVSA-N

