
 Bmy-7378

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    6.7536   -2.8218   -1.3921 C   0  0  0  0  0
    8.1152   -2.4356   -2.0094 C   0  0  0  0  0
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    2.1328   -8.8512   -3.7747 H   0  0  0  0  0
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M  END

>  <Chemical Name>
Bmy-7378

>  <PubChem CID>
2419

>  <Formula>
C22H31N3O3

>  <Molecular Weight>
385.508000

>  <IUPAC Name>
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O

>  <InChI Std. ID>
InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3

>  <InChI Key>
AYYCFGDXLUPJAQ-UHFFFAOYSA-N

