
 CHEMBL1090841

 57 63  0  0  0  0  0  0  0  0999 V2000
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 34 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1090841

>  <PubChem CID>
46885186

>  <Formula>
C26H23N5O3

>  <Molecular Weight>
453.502000

>  <IUPAC Name>


>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C4C(=C3)C=CC(=N4)CN5CC6CC(=O)NC7=C6C5=CC=C7

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@@]12CC3=C(C2)C=C4C(=C3)C=CC(=N4)CN5CC6CC(=O)NC7=C6C5=CC=C7

>  <InChI Std. ID>
InChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1

>  <InChI Key>
BKBXKZHHJMLDJU-KKFPZRRJSA-N

