
 CHEMBL1186493

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1186493

>  <PubChem CID>
21100419

>  <Formula>
C23H27ClN4

>  <Molecular Weight>
394.947000

>  <IUPAC Name>
N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-5-methylquinazolin-4-yl]hexane-1,6-diamine

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C2C(=CC=C1)N=C(N=C2NCCCCCCN)C=CC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=C2C(=CC=C1)N=C(N=C2NCCCCCCN)/C=C/C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C23H27ClN4/c1-17-7-6-8-20-22(17)23(26-16-5-3-2-4-15-25)28-21(27-20)14-11-18-9-12-19(24)13-10-18/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28)/b14-11+

>  <InChI Key>
ACPNQYXVIVYUHR-SDNWHVSQSA-N

