
 CHEMBL3730599

 59 63  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
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  2 36  1  0  0  0
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  7 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3730599

>  <PubChem CID>
11561403

>  <Formula>
C27H27ClN2O2

>  <Molecular Weight>
446.975000

>  <IUPAC Name>
[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] N-(2-chlorophenyl)carbamate

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5Cl

>  <Isomeric SMILES>
C1CN2CCC1[C@H](C2C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C27H27ClN2O2/c28-22-13-7-8-14-23(22)29-27(31)32-26-21-15-17-30(18-16-21)25(26)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26H,15-18H2,(H,29,31)/t25?,26-/m1/s1

>  <InChI Key>
UBMJTPXGHBYFOE-FXDYGKIASA-N

