
 CHEMBL3733183

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3733183

>  <PubChem CID>
90313007

>  <Formula>
C26H21Cl2FN8O3S2

>  <Molecular Weight>
647.525000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CN(CCC1C2=CC=C(C=C2)F)C(=O)C3=C(N4C(=C(C=N4)S(=O)(=O)NC5=NN=CS5)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=NN=CS5)N=C3)NC6=C(C=CC(=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H21Cl2FN8O3S2/c27-17-3-6-20(28)21(11-17)33-23-19(25(38)36-9-7-16(8-10-36)15-1-4-18(29)5-2-15)12-30-24-22(13-32-37(23)24)42(39,40)35-26-34-31-14-41-26/h1-6,11-14,16,33H,7-10H2,(H,34,35)

>  <InChI Key>
OSXXXLRTSIMZRN-UHFFFAOYSA-N

