
 CHEMBL539792

 92 96  0  0  0  0  0  0  0  0999 V2000
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   -0.1572   -6.0161   -0.9799 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL539792

>  <PubChem CID>
45264749

>  <Formula>
C40H39Cl3N6O4

>  <Molecular Weight>
774.140000

>  <IUPAC Name>
N-[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]phenyl]pyridine-4-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <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)NC(=O)C5=CC=NC=C5)Cl)C(=C1)N6CCCCC6.Cl

>  <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)NC(=O)C5=CC=NC=C5)Cl)C(=C1)N6CCCCC6.Cl

>  <InChI Std. ID>
InChI=1S/C40H38Cl2N6O4.ClH/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-29(13-10-27)46-40(51)28-17-19-43-20-18-28;/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,46,51);1H/b16-11+;

>  <InChI Key>
BZDWRTXNNUATLY-YFMOEUEHSA-N

