
 CHEMBL409773

 60 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL409773

>  <PubChem CID>
44430510

>  <Formula>
C27H25Cl2N3O3

>  <Molecular Weight>
510.415000

>  <IUPAC Name>
2,7-dichloro-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C(=O)CCC5=CN=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C(=O)CCC5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H25Cl2N3O3/c28-18-4-6-23-21(14-18)26(22-15-19(29)5-7-24(22)35-23)27(34)31-20-9-12-32(13-10-20)25(33)8-3-17-2-1-11-30-16-17/h1-2,4-7,11,14-16,20,26H,3,8-10,12-13H2,(H,31,34)

>  <InChI Key>
LSPGRTPRIJOMNA-UHFFFAOYSA-N

