
 CHEMBL75478

 97101  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL75478

>  <PubChem CID>
44315589

>  <Formula>
C38H44Cl4N6O5

>  <Molecular Weight>
806.607000

>  <IUPAC Name>
3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-ethylbenzamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC(=NOC)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC(=O)NCCOC)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
CCN(C/C(=N\OC)/[C@H](CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC(=O)NCCOC)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1

>  <InChI Key>
AXBSORLKLUGMEI-OUADDPIDSA-N

