
 CHEMBL285012

 69 73  0  0  0  0  0  0  0  0999 V2000
    3.9813    0.7518    0.7668 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL285012

>  <PubChem CID>
44279433

>  <Formula>
C27H32N4O5S

>  <Molecular Weight>
524.636000

>  <IUPAC Name>
N-methyl-N-[3-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CCCN1C=CC2=C1C=CC(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)S(=O)(=O)C

>  <Isomeric SMILES>
CN(CCCN1C=CC2=C1C=CC(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)S(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C27H32N4O5S/c1-28(37(2,34)35)13-5-14-29-15-10-20-18-21(8-9-24(20)29)26(32)30-16-11-23(12-17-30)31-25-7-4-3-6-22(25)19-36-27(31)33/h3-4,6-10,15,18,23H,5,11-14,16-17,19H2,1-2H3

>  <InChI Key>
CFEMQYFHLLIQOO-UHFFFAOYSA-N

