
 CHEMBL3355966

 86 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3355966

>  <PubChem CID>
118721206

>  <Formula>
C35H40Cl2FN5O3

>  <Molecular Weight>
668.635000

>  <IUPAC Name>
methyl 6-[3-[1-[(3R)-4-(3,4-dichlorophenyl)-3-(ethylcarbamoylamino)butyl]piperidin-4-yl]-2-ethyl-6-fluoroindol-1-yl]pyridine-3-carboxylate

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=C(C2=C(N1C3=NC=C(C=C3)C(=O)OC)C=C(C=C2)F)C4CCN(CC4)CCC(CC5=CC(=C(C=C5)Cl)Cl)NC(=O)NCC

>  <Isomeric SMILES>
CCC1=C(C2=C(N1C3=NC=C(C=C3)C(=O)OC)C=C(C=C2)F)C4CCN(CC4)CC[C@@H](CC5=CC(=C(C=C5)Cl)Cl)NC(=O)NCC

>  <InChI Std. ID>
InChI=1S/C35H40Cl2FN5O3/c1-4-30-33(27-9-8-25(38)20-31(27)43(30)32-11-7-24(21-40-32)34(44)46-3)23-12-15-42(16-13-23)17-14-26(41-35(45)39-5-2)18-22-6-10-28(36)29(37)19-22/h6-11,19-21,23,26H,4-5,12-18H2,1-3H3,(H2,39,41,45)/t26-/m0/s1

>  <InChI Key>
LGOIHCUQXWJJQO-SANMLTNESA-N

