
 CHEMBL3971888

 61 63  0  0  0  0  0  0  0  0999 V2000
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   10.2866  -11.1306   -2.9357 Cl  0  0  0  0  0
   14.5059  -14.4279    0.6366 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3971888

>  <PubChem CID>
118521865

>  <Formula>
C23H30ClN5O2

>  <Molecular Weight>
443.976000

>  <IUPAC Name>
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-3-chloro-6-methylpyridazine-4-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN=C(C(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC(C)(C)C)Cl

>  <Isomeric SMILES>
CC1=NN=C(C(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC(C)(C)C)Cl

>  <InChI Std. ID>
InChI=1S/C23H30ClN5O2/c1-15-12-19(20(24)28-27-15)22(31)25-18-7-5-6-16(13-18)14-29-10-8-17(9-11-29)21(30)26-23(2,3)4/h5-7,12-13,17H,8-11,14H2,1-4H3,(H,25,31)(H,26,30)

>  <InChI Key>
BQFLAJAPIVRVIL-UHFFFAOYSA-N

