
 CHEMBL3908467

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3908467

>  <PubChem CID>
118159231

>  <Formula>
C26H33F2N5O3

>  <Molecular Weight>
501.579000

>  <IUPAC Name>
[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-(oxolan-2-yl)methanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C3CCCO3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)F)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C3CCCO3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C26H33F2N5O3/c1-16(2)29-24-25(32-10-7-18(8-11-32)36-22-6-5-17(27)14-19(22)28)31-20-9-12-33(15-21(20)30-24)26(34)23-4-3-13-35-23/h5-6,14,16,18,23H,3-4,7-13,15H2,1-2H3,(H,29,30)

>  <InChI Key>
AJZJCRXVQJNSPO-UHFFFAOYSA-N

