
 CHEMBL370576

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL370576

>  <PubChem CID>
44405468

>  <Formula>
C27H27ClN4O2

>  <Molecular Weight>
474.989000

>  <IUPAC Name>
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-1-benzyl-5-chloroindazol-3-amine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1NC2=NN(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

>  <Isomeric SMILES>
C1CN(CCC1NC2=NN(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

>  <InChI Std. ID>
InChI=1S/C27H27ClN4O2/c28-21-7-8-24-23(15-21)27(30-32(24)17-19-4-2-1-3-5-19)29-22-10-12-31(13-11-22)16-20-6-9-25-26(14-20)34-18-33-25/h1-9,14-15,22H,10-13,16-18H2,(H,29,30)

>  <InChI Key>
AGQMIBYVMCNPQS-UHFFFAOYSA-N

