
 CHEMBL57695

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL57695

>  <PubChem CID>
11798310

>  <Formula>
C26H33N5O3

>  <Molecular Weight>
463.582000

>  <IUPAC Name>
benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCC(CC3)NC(=O)OCC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCC(CC3)NC(=O)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H33N5O3/c1-19(2)31-23-11-7-6-10-22(23)24(29-31)25(32)27-14-17-30-15-12-21(13-16-30)28-26(33)34-18-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,27,32)(H,28,33)

>  <InChI Key>
FEDKTGOMGVYEHB-UHFFFAOYSA-N

