
 SCHEMBL977787

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL977787

>  <PubChem CID>
25052021

>  <Formula>
C22H35Cl2N7O2

>  <Molecular Weight>
500.469000

>  <IUPAC Name>
N-[4-[2-[4-[5,6-dichloro-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]morpholine-4-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CNC1=NC(=C(C(=N1)Cl)Cl)N2CCN(CC2)CCC3CCC(CC3)NC(=O)N4CCOCC4

>  <Isomeric SMILES>
CNC1=NC(=C(C(=N1)Cl)Cl)N2CCN(CC2)CCC3CCC(CC3)NC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28)

>  <InChI Key>
AXVHZOULLRVZMO-UHFFFAOYSA-N

