
 CHEMBL564022

 66 70  0  0  0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL564022

>  <PubChem CID>
45269320

>  <Formula>
C29H29ClFN3O3

>  <Molecular Weight>
522.017000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C29H29ClFN3O3/c30-23-4-6-26(27(35)16-23)29(37)34-11-7-19(8-12-34)14-28(36)32-25-9-10-33(18-25)17-20-1-2-22-15-24(31)5-3-21(22)13-20/h1-6,13-16,25,35H,7-12,17-18H2,(H,32,36)/t25-/m1/s1

>  <InChI Key>
ADGYFBWBQIOUQC-RUZDIDTESA-N

