
 CHEMBL75489

 92 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL75489

>  <PubChem CID>
44313913

>  <Formula>
C40H42N6O4

>  <Molecular Weight>
670.814000

>  <IUPAC Name>
2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[4-methyl-2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]phenyl]carbamoyl]phenyl]benzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC=CN1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N(C)C4=C(C=C(C=C4)C)OCC5=CC=C(C=C5)C(=O)N6CCN(CC6)C

>  <Isomeric SMILES>
CCC1=NC=CN1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N(C)C4=C(C=C(C=C4)C)OCC5=CC=C(C=C5)C(=O)N6CCN(CC6)C

>  <InChI Std. ID>
InChI=1S/C40H42N6O4/c1-5-37-41-20-21-46(37)34-9-7-6-8-33(34)38(47)42-32-17-15-30(16-18-32)39(48)44(4)35-19-10-28(2)26-36(35)50-27-29-11-13-31(14-12-29)40(49)45-24-22-43(3)23-25-45/h6-21,26H,5,22-25,27H2,1-4H3,(H,42,47)

>  <InChI Key>
BCEZGQLWWKMCIT-UHFFFAOYSA-N

