
 CHEMBL58004

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1   8  -1
M  END

>  <Chemical Name>
CHEMBL58004

>  <PubChem CID>
3008930

>  <Formula>
C30H37N5O2

>  <Molecular Weight>
499.659000

>  <IUPAC Name>
(4,6-dimethyl-1-oxidopyrimidin-1-ium-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=[N+](C=N1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(C(=[N+](C=N1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3

>  <InChI Key>
AZSCGFLVNBRMKE-UHFFFAOYSA-N

