
 CHEMBL267493

 97101  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL267493

>  <PubChem CID>
10418701

>  <Formula>
C35H46Cl2N8O5S

>  <Molecular Weight>
761.764000

>  <IUPAC Name>
2-[(4S)-4-amino-6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxohexyl]guanidine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)CC(CCCN=C(N)N)N)Cl)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)C[C@H](CCCN=C(N)N)N)Cl)C

>  <InChI Std. ID>
InChI=1S/C35H46Cl2N8O5S/c1-22-19-23(2)42-32-25(22)8-5-9-28(32)50-21-26-27(36)10-11-29(31(26)37)51(48,49)43-35(12-3-4-13-35)33(47)45-17-15-44(16-18-45)30(46)20-24(38)7-6-14-41-34(39)40/h5,8-11,19,24,43H,3-4,6-7,12-18,20-21,38H2,1-2H3,(H4,39,40,41)/t24-/m0/s1

>  <InChI Key>
COEYQHHSXLKKSG-DEOSSOPVSA-N

