
 SCHEMBL15987978

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M  END

>  <Chemical Name>
SCHEMBL15987978

>  <PubChem CID>
71555582

>  <Formula>
C29H40N6O2

>  <Molecular Weight>
504.679000

>  <IUPAC Name>
2-[3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)NC(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)CCN3CCC(CC3)N(C)C)C4=CC(=CC=C4)OC

>  <Isomeric SMILES>
CC(C)NC(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)CCN3CCC(CC3)N(C)C)C4=CC(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C29H40N6O2/c1-21(2)30-27(36)20-35-29(24-7-6-8-26(19-24)37-5)31-28(32-35)23-11-9-22(10-12-23)13-16-34-17-14-25(15-18-34)33(3)4/h6-12,19,21,25H,13-18,20H2,1-5H3,(H,30,36)

>  <InChI Key>
ATCYDGHGDDTUEW-UHFFFAOYSA-N

