
 CHEMBL478398

 70 76  0  0  0  0  0  0  0  0999 V2000
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  1 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL478398

>  <PubChem CID>
24785705

>  <Formula>
C33H30N4O3

>  <Molecular Weight>
530.628000

>  <IUPAC Name>
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=NC(=CN2C3=CC4=C(C=C3)OCCO4)C(=O)N5CCN(CC5)C6=CC7=CC=CC=C7C=C6

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=NC(=CN2C3=CC4=C(C=C3)OCCO4)C(=O)N5CCN(CC5)C6=CC7=CC=CC=C7C=C6

>  <InChI Std. ID>
InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3

>  <InChI Key>
CMVJMSOSNIIAPW-UHFFFAOYSA-N

