null
  CDK     0225161911
null
 26 30  0  0  0  0  0  0  0  0999 V2000
   -3.3474   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5849   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9974    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5849    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    0.8915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1901    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    0.1770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5437    0.1770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8401   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6605   -0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045   -1.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 11 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  1  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 19 18  1  1  0  0  0 
 19 14  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
 17 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:125013

> <NAME>
4-[[(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]oxazole

> <STAR>
2

> <FORMULA>
C22H23N3O

> <MASS>
345.438

> <MONOISOTOPIC_MASS>
345.18411

> <CHARGE>
0

> <SMILES>
CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=COC=N5

> <INCHI>
InChI=1S/C22H23N3O/c1-15-4-2-3-5-19(15)16-6-8-17(9-7-16)22-20-11-25(12-21(22)24-20)10-18-13-26-14-23-18/h2-9,13-14,20-22,24H,10-12H2,1H3/t20-,21+,22?

> <INCHIKEY>
SXPFQPIEGAOSCE-CBQGHPETSA-N

> <LINCS_ACCESSION>
LSM-36475

$$$$