
 CHEMBL3933363

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3933363

>  <PubChem CID>
117983376

>  <Formula>
C23H28N4O2

>  <Molecular Weight>
392.503000

>  <IUPAC Name>
[2-amino-7-[5-(3-methyl-4-propan-2-yloxyphenyl)-3H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-naphthalen-2-yl]methanol

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NC(N=N2)C3=CC4=C(CCC(C4)(CO)N)C=C3)OC(C)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NC(N=N2)C3=CC4=C(CCC(C4)(CO)N)C=C3)OC(C)C

>  <InChI Std. ID>
InChI=1S/C23H28N4O2/c1-14(2)29-20-7-6-17(10-15(20)3)21-25-22(27-26-21)18-5-4-16-8-9-23(24,13-28)12-19(16)11-18/h4-7,10-11,14,22,28H,8-9,12-13,24H2,1-3H3

>  <InChI Key>
YGIQDTVHSAUFID-UHFFFAOYSA-N

