
 CHEMBL1269764

 84 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1269764

>  <PubChem CID>
49780575

>  <Formula>
C38H31Cl6N7O2

>  <Molecular Weight>
830.413000

>  <IUPAC Name>
5-(4-chlorophenyl)-N-[2-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]ethylamino]ethyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

>  <XlogP>
10.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N(N=C1C(=O)NCCNCCNC(=O)C2=NN(C(=C2C)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

>  <Isomeric SMILES>
CC1=C(N(N=C1C(=O)NCCNCCNC(=O)C2=NN(C(=C2C)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

>  <InChI Std. ID>
InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)

>  <InChI Key>
BAXHFHNXVCEHCG-UHFFFAOYSA-N

