
 CHEMBL3675742

 79 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3675742

>  <PubChem CID>
68379381

>  <Formula>
C30H39N7O3

>  <Molecular Weight>
545.688000

>  <IUPAC Name>
tert-butyl 4-[[1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]triazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)N4C=C(N=N4)CC5(CCN(CC5)C(=O)OC(C)(C)C)O)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)N4C=C(N=N4)CC5(CCN(CC5)C(=O)OC(C)(C)C)O)C)C

>  <InChI Std. ID>
InChI=1S/C30H39N7O3/c1-7-26-25(27-31-20(2)16-21(3)37(27)33-26)17-22-8-10-24(11-9-22)36-19-23(32-34-36)18-30(39)12-14-35(15-13-30)28(38)40-29(4,5)6/h8-11,16,19,39H,7,12-15,17-18H2,1-6H3

>  <InChI Key>
KGPXWGKTJXKTPF-UHFFFAOYSA-N

