
 CHEMBL232104

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL232104

>  <PubChem CID>
17758320

>  <Formula>
C28H33N7O4S

>  <Molecular Weight>
563.677000

>  <IUPAC Name>
methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]methyl]piperidine-1-carboxylate

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CC=CC=N5

>  <Isomeric SMILES>
CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C28H33N7O4S/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3

>  <InChI Key>
BRIVIXLMMUIBJY-UHFFFAOYSA-N

