
 CHEMBL3889833

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3889833

>  <PubChem CID>
70642033

>  <Formula>
C25H30F3N5O2

>  <Molecular Weight>
489.543000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC(CCC1C2(CC=CC2)O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2(CC=CC2)O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H30F3N5O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(34)32-18-13-33(14-18)19-6-3-16(4-7-19)24(35)9-1-2-10-24/h1-2,5,8,11,15-16,18-19,35H,3-4,6-7,9-10,12-14H2,(H,32,34)(H,29,30,31)

>  <InChI Key>
KMQAFUVIYPPUCI-UHFFFAOYSA-N

