
 CHEMBL3731390

 72 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3731390

>  <PubChem CID>
127035720

>  <Formula>
C30H29ClN6O5S

>  <Molecular Weight>
621.109000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=C(C=C1)Cl)NC2=C(C=NC3=C(C=NN32)S(=O)(=O)NC(=O)C4CC4)C(=O)N5CCC6(CC5)C7=CC=CC=C7CO6

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)Cl)NC2=C(C=NC3=C(C=NN32)S(=O)(=O)NC(=O)C4CC4)C(=O)N5CCC6(CC5)C7=CC=CC=C7CO6

>  <InChI Std. ID>
InChI=1S/C30H29ClN6O5S/c1-18-6-9-23(31)24(14-18)34-26-21(15-32-27-25(16-33-37(26)27)43(40,41)35-28(38)19-7-8-19)29(39)36-12-10-30(11-13-36)22-5-3-2-4-20(22)17-42-30/h2-6,9,14-16,19,34H,7-8,10-13,17H2,1H3,(H,35,38)

>  <InChI Key>
BIWHPZPZSZACCB-UHFFFAOYSA-N

