
 CHEMBL1934261

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

>  <Chemical Name>
CHEMBL1934261

>  <PubChem CID>
57396212

>  <Formula>
C32H31ClN2O3

>  <Molecular Weight>
527.061000

>  <IUPAC Name>
4-(6-chloro-4-oxochromen-3-yl)-N-[(1S)-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=C(C=C4)C5=COC6=C(C5=O)C=C(C=C6)Cl

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

>  <InChI Std. ID>
InChI=1S/C32H31ClN2O3/c33-25-12-14-30-27(18-25)31(36)28(20-38-30)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1

>  <InChI Key>
PLGOLQFYRFOILT-LJAQVGFWSA-N

