
 CHEMBL1835757

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

>  <Chemical Name>
CHEMBL1835757

>  <PubChem CID>
56594242

>  <Formula>
C32H32N2O3

>  <Molecular Weight>
492.619000

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

>  <XlogP>
5.4

>  <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=CC=CC=C6C5=O

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)NC(=O)C4=CC=C(C=C4)C5=COC6=CC=CC=C6C5=O

>  <InChI Std. ID>
InChI=1S/C32H32N2O3/c35-31-27-8-2-3-10-30(27)37-21-28(31)23-12-14-24(15-13-23)32(36)33-29-9-6-7-25-19-22(11-16-26(25)29)20-34-17-4-1-5-18-34/h2-3,8,10-16,19,21,29H,1,4-7,9,17-18,20H2,(H,33,36)/t29-/m1/s1

>  <InChI Key>
BAVSXHMXJOQHBA-GDLZYMKVSA-N

