
 CHEMBL553897

 93 98  0  0  0  0  0  0  0  0999 V2000
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    6.7053   -2.7196    3.1281 H   0  0  0  0  0
    6.2686   -1.6377    4.4697 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL553897

>  <PubChem CID>
11193509

>  <Formula>
C41H40Cl2N6O4

>  <Molecular Weight>
751.709000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-(pyridin-2-ylmethyl)benzamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5)Cl)C(=C1)N6CCCCC6

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5)Cl)C(=C1)N6CCCCC6

>  <InChI Std. ID>
InChI=1S/C41H40Cl2N6O4/c1-27-23-35(49-21-6-3-7-22-49)31-10-8-11-36(40(31)47-27)53-26-32-33(42)17-18-34(39(32)43)48(2)38(51)25-45-37(50)19-14-28-12-15-29(16-13-28)41(52)46-24-30-9-4-5-20-44-30/h4-5,8-20,23H,3,6-7,21-22,24-26H2,1-2H3,(H,45,50)(H,46,52)/b19-14+

>  <InChI Key>
AXRYWEAVAZCNIT-XMHGGMMESA-N

