
 CHEMBL3732824

 69 75  0  0  0  0  0  0  0  0999 V2000
    2.4908   -2.9094   -2.0574 C   0  0  0  0  0
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    2.4442   -3.3694   -3.0401 H   0  0  0  0  0
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    5.2741  -11.0751   -1.7281 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3732824

>  <PubChem CID>
90312436

>  <Formula>
C29H26Cl2N6O5S

>  <Molecular Weight>
641.524000

>  <IUPAC Name>
N-[7-(2,5-dichloroanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcyclopropanecarboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1C(=O)NS(=O)(=O)C2=C3N=CC(=C(N3N=C2)NC4=C(C=CC(=C4)Cl)Cl)C(=O)N5CCC6(CC5)C7=CC=CC=C7CO6

>  <Isomeric SMILES>
C1CC1C(=O)NS(=O)(=O)C2=C3N=CC(=C(N3N=C2)NC4=C(C=CC(=C4)Cl)Cl)C(=O)N5CCC6(CC5)C7=CC=CC=C7CO6

>  <InChI Std. ID>
InChI=1S/C29H26Cl2N6O5S/c30-19-7-8-22(31)23(13-19)34-25-20(14-32-26-24(15-33-37(25)26)43(40,41)35-27(38)17-5-6-17)28(39)36-11-9-29(10-12-36)21-4-2-1-3-18(21)16-42-29/h1-4,7-8,13-15,17,34H,5-6,9-12,16H2,(H,35,38)

>  <InChI Key>
SLCUIAGFNRFKBI-UHFFFAOYSA-N

