
 CHEMBL3093425

 77 81  0  0  0  0  0  0  0  0999 V2000
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    0.3512   -3.6715    1.8920 H   0  0  0  0  0
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    4.8258    7.0421    4.8623 H   0  0  0  0  0
    6.6806    8.6399    5.1627 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3093425

>  <PubChem CID>
72725337

>  <Formula>
C31H32ClF2N5O4S2

>  <Molecular Weight>
676.195000

>  <IUPAC Name>
1-[3,3-bis(2-fluorophenyl)propyl]-3-[5-chloro-4-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2F)C3=CC=CC=C3F)C(=O)NC4=NC(=C(S4)Cl)C5=CC=C(C=C5)S(=O)(=O)N

>  <Isomeric SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2F)C3=CC=CC=C3F)C(=O)NC4=NC(=C(S4)Cl)C5=CC=C(C=C5)S(=O)(=O)N

>  <InChI Std. ID>
InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-9-11-22(12-10-21)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-23(24-5-1-3-7-26(24)33)25-6-2-4-8-27(25)34/h1-12,23H,13-20H2,(H2,35,41,42)(H,36,37,40)

>  <InChI Key>
DFQQZWBQDDXPNU-UHFFFAOYSA-N

