
 CHEMBL230943

 63 66  0  0  0  0  0  0  0  0999 V2000
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  7 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230943

>  <PubChem CID>
44425373

>  <Formula>
C27H31N3O2

>  <Molecular Weight>
429.564000

>  <IUPAC Name>
N-[1-[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]piperidin-4-yl]-N-phenylpropanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(=O)N(C1CCN(CC1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N)C4=CC=CC=C4

>  <Isomeric SMILES>
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)N)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H31N3O2/c1-2-26(31)30(23-10-4-3-5-11-23)24-14-16-29(17-15-24)27(32)25(28)19-20-12-13-21-8-6-7-9-22(21)18-20/h3-13,18,24-25H,2,14-17,19,28H2,1H3/t25-/m0/s1

>  <InChI Key>
AFTDOBSJNHHDAP-VWLOTQADSA-N

