
 CHEMBL382668

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL382668

>  <PubChem CID>
10174940

>  <Formula>
C30H34F4N4O

>  <Molecular Weight>
542.623000

>  <IUPAC Name>
1-[(1S,4R,5S)-1-(3-cyanophenyl)-4-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-piperidin-1-ylbutyl)urea

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)CCCCN(C2CCC3(C2C3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

>  <Isomeric SMILES>
C1CCN(CC1)CCCCN([C@@H]2CC[C@]3([C@@H]2C3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1

>  <InChI Key>
PADYOFAOFXVOGM-ONDZYYNLSA-N

