
 CHEMBL3715787

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3715787

>  <PubChem CID>
90038509

>  <Formula>
C22H21ClF4N6O3

>  <Molecular Weight>
528.893000

>  <IUPAC Name>
3-[4-(4-chloro-2-fluorophenoxy)piperidin-1-yl]-N-cyclopropylpyrazino[2,3-d]pyridazin-2-amine;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
C1CC1NC2=NC3=CN=NC=C3N=C2N4CCC(CC4)OC5=C(C=C(C=C5)Cl)F.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CC1NC2=NC3=CN=NC=C3N=C2N4CCC(CC4)OC5=C(C=C(C=C5)Cl)F.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C20H20ClFN6O.C2HF3O2/c21-12-1-4-18(15(22)9-12)29-14-5-7-28(8-6-14)20-19(25-13-2-3-13)26-16-10-23-24-11-17(16)27-20;3-2(4,5)1(6)7/h1,4,9-11,13-14H,2-3,5-8H2,(H,25,26);(H,6,7)

>  <InChI Key>
DRBOPWLAOXWXTA-UHFFFAOYSA-N

