
 CHEMBL1934257

 69 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1934257

>  <PubChem CID>
57398013

>  <Formula>
C32H31ClN2O3

>  <Molecular Weight>
527.061000

>  <IUPAC Name>
3-(7-chloro-4-oxochromen-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)C(CCC3)NC(=O)C4=CC=CC(=C4)C5=COC6=C(C5=O)C=CC(=C6)Cl

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)NC(=O)C4=CC=CC(=C4)C5=COC6=C(C5=O)C=CC(=C6)Cl

>  <InChI Std. ID>
InChI=1S/C32H31ClN2O3/c33-25-11-13-27-30(18-25)38-20-28(31(27)36)23-6-4-8-24(17-23)32(37)34-29-9-5-7-22-16-21(10-12-26(22)29)19-35-14-2-1-3-15-35/h4,6,8,10-13,16-18,20,29H,1-3,5,7,9,14-15,19H2,(H,34,37)/t29-/m1/s1

>  <InChI Key>
SGNRLILGTPMHPX-GDLZYMKVSA-N

