
 CHEMBL50194

 79 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL50194

>  <PubChem CID>
44295462

>  <Formula>
C29H41N7O2

>  <Molecular Weight>
519.694000

>  <IUPAC Name>
1-[3-[(2R,4S)-4-benzyl-2-[(1S)-1-hydroxypentyl]piperidin-1-yl]propyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC(C1CC(CCN1CCCNC(=O)NC2=CC=CC(=C2)C3=NN=NN3C)CC4=CC=CC=C4)O

>  <Isomeric SMILES>
CCCC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)NC2=CC=CC(=C2)C3=NN=NN3C)CC4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C29H41N7O2/c1-3-4-14-27(37)26-20-23(19-22-10-6-5-7-11-22)15-18-36(26)17-9-16-30-29(38)31-25-13-8-12-24(21-25)28-32-33-34-35(28)2/h5-8,10-13,21,23,26-27,37H,3-4,9,14-20H2,1-2H3,(H2,30,31,38)/t23-,26-,27+/m1/s1

>  <InChI Key>
BAAFLUWVDPBRCL-MVNQZMKCSA-N

