
 CHEMBL432973

 83 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL432973

>  <PubChem CID>
44336402

>  <Formula>
C36H39FN4O3

>  <Molecular Weight>
594.731000

>  <IUPAC Name>
1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-piperidin-1-ylethyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCNC(=O)C2=CC3(CC2)CCN(C4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)NC(=O)C6=CC=CC=C6F

>  <Isomeric SMILES>
C1CCN(CC1)CCNC(=O)C2=CC3(CC2)CCN(C4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)NC(=O)C6=CC=CC=C6F

>  <InChI Std. ID>
InChI=1S/C36H39FN4O3/c37-31-10-4-3-9-30(31)34(43)39-29-14-12-26(13-15-29)35(44)41-22-18-36(24-27-8-2-5-11-32(27)41)17-16-28(25-36)33(42)38-19-23-40-20-6-1-7-21-40/h2-5,8-15,25H,1,6-7,16-24H2,(H,38,42)(H,39,43)

>  <InChI Key>
ALTXCOPWMUDTBZ-UHFFFAOYSA-N

