
 CHEMBL551735

 66 70  0  0  0  0  0  0  0  0999 V2000
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    6.7403   -1.0248    8.7440 F   0  0  0  0  0
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  1  5  1  0  0  0
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 35 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL551735

>  <PubChem CID>
44512617

>  <Formula>
C29H30FN3O3

>  <Molecular Weight>
487.575000

>  <IUPAC Name>
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CC1NC(=O)C=C2CCN(CC2)C(=O)C3=CC=CC=C3O)CC4=CC5=C(C=C4)C=C(C=C5)F

>  <Isomeric SMILES>
C1CN(C[C@@H]1NC(=O)C=C2CCN(CC2)C(=O)C3=CC=CC=C3O)CC4=CC5=C(C=C4)C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35)/t25-/m1/s1

>  <InChI Key>
TVBOHVNCFNQWSW-RUZDIDTESA-N

