
 CHEMBL2377738

 82 87  0  0  0  0  0  0  0  0999 V2000
    3.9178    0.1428   -0.9437 C   0  0  0  0  0
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    4.3405    0.0007    8.2473 H   0  0  0  0  0
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    7.1372   -3.2370    8.5476 H   0  0  0  0  0
    5.8943   -4.4836    6.8005 H   0  0  0  0  0
    3.8854   -3.5069    5.7664 H   0  0  0  0  0
    2.7113    3.4059    1.8025 H   0  0  0  0  0
    3.2686    8.4420    2.5902 H   0  0  0  0  0
    4.9078    9.8382    3.8509 H   0  0  0  0  0
    6.8725    8.7912    4.9235 H   0  0  0  0  0
    7.2516    6.3469    4.7739 H   0  0  0  0  0
    7.0845    4.0313    2.5007 H   0  0  0  0  0
    6.0034    2.7312    2.9690 H   0  0  0  0  0
    9.0471    4.2042    3.7980 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2377738

>  <PubChem CID>
16735431

>  <Formula>
C36H39N5O2

>  <Molecular Weight>
573.741000

>  <IUPAC Name>
3-(1-benzylbenzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

>  <XlogP>
6.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <Isomeric SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C36H39N5O2/c42-36(38-35-37-33-18-10-11-19-34(33)41(35)28-29-12-4-1-5-13-29)40(23-22-39-24-26-43-27-25-39)21-20-32(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,32H,20-28H2,(H,37,38,42)

>  <InChI Key>
AADMBJQKWWIIBC-UHFFFAOYSA-N

