
 CHEMBL3733165

 66 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3733165

>  <PubChem CID>
90313192

>  <Formula>
C28H23Cl2FN8O3S

>  <Molecular Weight>
641.503000

>  <IUPAC Name>
7-(2,5-dichloroanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-N-pyrimidin-2-ylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCC1C2=CC=C(C=C2)F)C(=O)C3=C(N4C(=C(C=N4)S(=O)(=O)NC5=NC=CC=N5)N=C3)NC6=C(C=CC(=C6)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC1C2=CC=C(C=C2)F)C(=O)C3=C(N4C(=C(C=N4)S(=O)(=O)NC5=NC=CC=N5)N=C3)NC6=C(C=CC(=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C28H23Cl2FN8O3S/c29-19-4-7-22(30)23(14-19)36-25-21(27(40)38-12-8-18(9-13-38)17-2-5-20(31)6-3-17)15-34-26-24(16-35-39(25)26)43(41,42)37-28-32-10-1-11-33-28/h1-7,10-11,14-16,18,36H,8-9,12-13H2,(H,32,33,37)

>  <InChI Key>
GARGQGYDLMLQBM-UHFFFAOYSA-N

