
 CHEMBL3922084

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M  END

>  <Chemical Name>
CHEMBL3922084

>  <PubChem CID>
59191568

>  <Formula>
C23H29N7O

>  <Molecular Weight>
419.533000

>  <IUPAC Name>
2-[5-[(2R)-4-(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)C4=CC=NC=C4

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C23H29N7O/c1-15-14-29(10-11-30(15)20-13-25-19(12-26-20)23(4,5)31)22-17(3)16(2)21(27-28-22)18-6-8-24-9-7-18/h6-9,12-13,15,31H,10-11,14H2,1-5H3/t15-/m1/s1

>  <InChI Key>
AXUJYWGLEYBMLN-OAHLLOKOSA-N

