
 CHEMBL315551

 73 77  0  0  0  0  0  0  0  0999 V2000
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    9.8141    7.1578   -4.0103 H   0  0  0  0  0
   10.1647    4.7090   -5.8340 H   0  0  0  0  0
   11.4613    5.2802   -4.8143 H   0  0  0  0  0
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   10.7895    3.7765    1.0031 H   0  0  0  0  0
    8.9834    2.4212    0.0823 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL315551

>  <PubChem CID>
11004121

>  <Formula>
C27H43N3

>  <Molecular Weight>
409.662000

>  <IUPAC Name>
(3aS,6aR)-1'-cyclodecyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CC2CN(C3(C2C1)CCN(CC3)C4CCCCCCCCC4)C5=CC=CC=C5

>  <Isomeric SMILES>
CN1C[C@@H]2CN(C3([C@@H]2C1)CCN(CC3)C4CCCCCCCCC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H43N3/c1-28-20-23-21-30(25-14-10-7-11-15-25)27(26(23)22-28)16-18-29(19-17-27)24-12-8-5-3-2-4-6-9-13-24/h7,10-11,14-15,23-24,26H,2-6,8-9,12-13,16-22H2,1H3/t23-,26-/m1/s1

>  <InChI Key>
BKZJNLHLIQDJQK-ZEQKJWHPSA-N

