
 CHEMBL3938334

 81 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3938334

>  <PubChem CID>
59191629

>  <Formula>
C30H41N9O

>  <Molecular Weight>
543.720000

>  <IUPAC Name>
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1CN(CCN1C2=NC=C(N=C2)C(=O)NCCN3CCN(CC3)C)C4=NN=C(C(=C4C)C)CC5=CC=CC=C5

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(=O)NCCN3CCN(CC3)C)C4=NN=C(C(=C4C)C)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H41N9O/c1-22-21-38(29-24(3)23(2)26(34-35-29)18-25-8-6-5-7-9-25)16-17-39(22)28-20-32-27(19-33-28)30(40)31-10-11-37-14-12-36(4)13-15-37/h5-9,19-20,22H,10-18,21H2,1-4H3,(H,31,40)/t22-/m1/s1

>  <InChI Key>
AHQWNOPSANGZRN-JOCHJYFZSA-N

