
 CHEMBL609179

 53 58  0  0  0  0  0  0  0  0999 V2000
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  3 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL609179

>  <PubChem CID>
46875260

>  <Formula>
C19H24N6O4

>  <Molecular Weight>
400.439000

>  <IUPAC Name>


>  <XlogP>
1.100

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1C2CC3C1CC(C2)(C3)NC(=O)C4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

>  <Isomeric SMILES>
C1C2CC3C1CC(C2)(C3)NC(=O)[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C5N=CN=C6N)O)O

>  <InChI Std. ID>
InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12-,13+,14-,18?,19?/m0/s1

>  <InChI Key>
PXJOPVBSHVHQCP-BCULZPEKSA-N

