
 CHEMBL2315930

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2315930

>  <PubChem CID>
54772206

>  <Formula>
C26H29F3N6O2

>  <Molecular Weight>
514.553000

>  <IUPAC Name>
N-[1-[4-(3-methoxypyridin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=C(C=CN=C1)C2CCC(CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
COC1=C(C=CN=C1)C2CCC(CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H29F3N6O2/c1-37-23-11-30-9-8-20(23)16-2-5-19(6-3-16)35-13-18(14-35)34-24(36)12-31-25-21-10-17(26(27,28)29)4-7-22(21)32-15-33-25/h4,7-11,15-16,18-19H,2-3,5-6,12-14H2,1H3,(H,34,36)(H,31,32,33)

>  <InChI Key>
WUDISVMQPSNWSK-UHFFFAOYSA-N

