
 CHEMBL279320

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL279320

>  <PubChem CID>
10696635

>  <Formula>
C27H36FN5O3

>  <Molecular Weight>
497.615000

>  <IUPAC Name>
1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]urea

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CCOC1=C(C=CC(=C1)NC(=O)NCCN2CCC(CC2)C3=CNC4=C3C=CC(=C4)F)OC

>  <Isomeric SMILES>
CN(C)CCOC1=C(C=CC(=C1)NC(=O)NCCN2CCC(CC2)C3=CNC4=C3C=CC(=C4)F)OC

>  <InChI Std. ID>
InChI=1S/C27H36FN5O3/c1-32(2)14-15-36-26-17-21(5-7-25(26)35-3)31-27(34)29-10-13-33-11-8-19(9-12-33)23-18-30-24-16-20(28)4-6-22(23)24/h4-7,16-19,30H,8-15H2,1-3H3,(H2,29,31,34)

>  <InChI Key>
DOWMZCCWUBICMR-UHFFFAOYSA-N

