
 SCHEMBL6924756

 59 64  0  0  0  0  0  0  0  0999 V2000
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    2.9825   -1.1277    2.4178 H   0  0  0  0  0
    5.4211    4.3730    0.7967 H   0  0  0  0  0
    4.2924    3.0799    1.2411 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6924756

>  <PubChem CID>
69939202

>  <Formula>
C26H25N7O

>  <Molecular Weight>
451.534000

>  <IUPAC Name>
[5-methyl-2-(triazol-2-yl)phenyl]-[2-(4-phenylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CC4CN(CC4C3)C5=NC=CC(=N5)C6=CC=CC=C6

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CC4CN(CC4C3)C5=NC=CC(=N5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3

>  <InChI Key>
ABKKOOXXHVYISB-UHFFFAOYSA-N

