
 SCHEMBL1830420

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M  END

>  <Chemical Name>
SCHEMBL1830420

>  <PubChem CID>
67176532

>  <Formula>
C24H25F3N6O2

>  <Molecular Weight>
486.499000

>  <IUPAC Name>
2-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1CN(CCN1C2=NC=C(C(=N2)C(F)(F)F)C(=O)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1C2=NC=C(C(=N2)C(F)(F)F)C(=O)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H25F3N6O2/c1-14-13-32(21-16(3)15(2)19(30-31-21)11-17-7-5-4-6-8-17)9-10-33(14)23-28-12-18(22(34)35)20(29-23)24(25,26)27/h4-8,12,14H,9-11,13H2,1-3H3,(H,34,35)/t14-/m1/s1

>  <InChI Key>
BNEJONAXBWWXKD-CQSZACIVSA-N

