
 CHEMBL1681848

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1681848

>  <PubChem CID>
53322504

>  <Formula>
C29H31Cl2F2N5O

>  <Molecular Weight>
574.498000

>  <IUPAC Name>
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1N2CCN(CC2)C3=C(C=C(C=N3)C(=O)NCC4=CC(=C(C=C4)F)F)Cl)CC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC1N2CCN(CC2)C3=C(C=C(C=N3)C(=O)NCC4=CC(=C(C=C4)F)F)Cl)CC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)

>  <InChI Key>
FMYKWJDOTAPBPQ-UHFFFAOYSA-N

