
 CHEMBL1762411

 87 90  0  0  0  0  0  0  0  0999 V2000
    2.4006    1.4859    0.4514 C   0  0  0  0  0
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    2.2556  -19.4261  -13.0008 H   0  0  0  0  0
    4.4717    2.8434   -0.6450 H   0  0  0  0  0
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    7.9631    2.0919   -0.8336 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1762411

>  <PubChem CID>
52915637

>  <Formula>
C35H45N5O2

>  <Molecular Weight>
567.778000

>  <IUPAC Name>
2-[[4-[(10-aminodecylamino)methyl]phenoxy]methyl]-N-(4-amino-2-methylquinolin-6-yl)benzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3COC4=CC=C(C=C4)CNCCCCCCCCCCN)C(=C1)N

>  <Isomeric SMILES>
CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3COC4=CC=C(C=C4)CNCCCCCCCCCCN)C(=C1)N

>  <InChI Std. ID>
InChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)

>  <InChI Key>
AAEIJYARJYLTIS-UHFFFAOYSA-N

