
 CHEMBL2057760

 80 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2057760

>  <PubChem CID>
70692666

>  <Formula>
C34H39FN4O2

>  <Molecular Weight>
554.710000

>  <IUPAC Name>
N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(1-phenylcyclopropanecarbonyl)-1,4-diazepane-1-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN(C1)C(=O)NC2CC3CCC(C2)N3CC4=CC5=C(C=C4)C=C(C=C5)F)C(=O)C6(CC6)C7=CC=CC=C7

>  <Isomeric SMILES>
C1CN(CCN(C1)C(=O)NC2C[C@H]3CC[C@H](C2)N3CC4=CC5=C(C=C4)C=C(C=C5)F)C(=O)C6(CC6)C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C34H39FN4O2/c35-28-10-9-25-19-24(7-8-26(25)20-28)23-39-30-11-12-31(39)22-29(21-30)36-33(41)38-16-4-15-37(17-18-38)32(40)34(13-14-34)27-5-2-1-3-6-27/h1-3,5-10,19-20,29-31H,4,11-18,21-23H2,(H,36,41)/t30-,31-/m1/s1

>  <InChI Key>
ALNPYJIMVMNPSZ-FIRIVFDPSA-N

