
 SCHEMBL16755980

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL16755980

>  <PubChem CID>
118108277

>  <Formula>
C21H24ClN5

>  <Molecular Weight>
381.908000

>  <IUPAC Name>
8-chloro-3-(cyclopropylmethyl)-N-(4-phenylcyclohexyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-amine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CC2=NN=C3N2N=CC(=C3Cl)NC4CCC(CC4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CC1CC2=NN=C3N2N=CC(=C3Cl)NC4CCC(CC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C21H24ClN5/c22-20-18(13-23-27-19(12-14-6-7-14)25-26-21(20)27)24-17-10-8-16(9-11-17)15-4-2-1-3-5-15/h1-5,13-14,16-17,24H,6-12H2

>  <InChI Key>
AENTVLLHFWHOEJ-UHFFFAOYSA-N

