
 CHEMBL3953149

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3953149

>  <PubChem CID>
59191633

>  <Formula>
C25H30N6O2

>  <Molecular Weight>
446.555000

>  <IUPAC Name>
[6-[(3R)-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-3-methylpiperazin-1-yl]-4,5-dimethylpyridazin-3-yl]-phenylmethanone

>  <XlogP>
2.7

>  <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)C(=O)C4=CC=CC=C4

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

>  <InChI Std. ID>
InChI=1S/C25H30N6O2/c1-16-15-30(11-12-31(16)21-14-26-20(13-27-21)25(4,5)33)24-18(3)17(2)22(28-29-24)23(32)19-9-7-6-8-10-19/h6-10,13-14,16,33H,11-12,15H2,1-5H3/t16-/m1/s1

>  <InChI Key>
BHESAMQTYCUTJD-MRXNPFEDSA-N

