
 CHEMBL309872

 57 61  0  0  0  0  0  0  0  0999 V2000
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    7.2728   -0.6076   -2.3620 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL309872

>  <PubChem CID>
44461266

>  <Formula>
C25H26ClN3O2

>  <Molecular Weight>
435.952000

>  <IUPAC Name>
1-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CC=C1C2=CNC3=C2C=CC(=C3)Cl)CCC4C5=C(CCO4)C=C(C=C5)C(=O)N

>  <Isomeric SMILES>
C1CN(CC=C1C2=CNC3=C2C=CC(=C3)Cl)CCC4C5=C(CCO4)C=C(C=C5)C(=O)N

>  <InChI Std. ID>
InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)

>  <InChI Key>
BGSCMPXCMQXFNP-UHFFFAOYSA-N

