
 CHEMBL2153673

 66 70  0  0  0  0  0  0  0  0999 V2000
   -2.5420   -5.4607    0.2611 C   0  0  0  0  0
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  1  4  1  0  0  0
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  1 40  1  0  0  0
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 39 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153673

>  <PubChem CID>
71449530

>  <Formula>
C28H27Cl2N5O3S

>  <Molecular Weight>
584.516000

>  <IUPAC Name>
(2S)-2-[[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-2-cyclobutylacetamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C1)C(C(=O)N)N=C(NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CC(C1)[C@@H](C(=O)N)N=C(NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H27Cl2N5O3S/c29-21-11-9-20(10-12-21)25-24(18-5-2-1-3-6-18)17-35(33-25)28(32-26(27(31)36)19-7-4-8-19)34-39(37,38)23-15-13-22(30)14-16-23/h1-3,5-6,9-16,19,24,26H,4,7-8,17H2,(H2,31,36)(H,32,34)/t24?,26-/m0/s1

>  <InChI Key>
AAXPOBDAMCGNNF-JKGBFCRXSA-N

