
 CHEMBL3355964

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3355964

>  <PubChem CID>
118721204

>  <Formula>
C28H35Cl2FN4O

>  <Molecular Weight>
533.513000

>  <IUPAC Name>
1-[(2R)-1-(3,4-dichlorophenyl)-4-[4-(2-ethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-2-yl]-3-ethylurea

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C2=C(N1)C=C(C=C2)F)C3CCN(CC3)CCC(CC4=CC(=C(C=C4)Cl)Cl)NC(=O)NCC

>  <Isomeric SMILES>
CCC1=C(C2=C(N1)C=C(C=C2)F)C3CCN(CC3)CC[C@@H](CC4=CC(=C(C=C4)Cl)Cl)NC(=O)NCC

>  <InChI Std. ID>
InChI=1S/C28H35Cl2FN4O/c1-3-25-27(22-7-6-20(31)17-26(22)34-25)19-9-12-35(13-10-19)14-11-21(33-28(36)32-4-2)15-18-5-8-23(29)24(30)16-18/h5-8,16-17,19,21,34H,3-4,9-15H2,1-2H3,(H2,32,33,36)/t21-/m0/s1

>  <InChI Key>
KVUCRPZZSWTVEJ-NRFANRHFSA-N

