
 CHEMBL48763

 89 92  0  0  0  0  0  0  0  0999 V2000
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    0.0473    8.1947    7.1414 H   0  0  0  0  0
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    6.4662   12.7027   -2.0848 H   0  0  0  0  0
    4.8703   12.8581   -2.8673 H   0  0  0  0  0
    2.8777   13.3635    1.6127 H   0  0  0  0  0
    3.5260   12.2589    2.8393 H   0  0  0  0  0
    1.9797   11.8988    2.0239 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL48763

>  <PubChem CID>
44293194

>  <Formula>
C35H46N4O3S

>  <Molecular Weight>
602.838000

>  <IUPAC Name>
2-(3,5-dimethylphenyl)-N-ethyl-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N-propan-2-yl-1H-indole-5-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C(C)C)C(=O)C1=CC2=C(C=C1)NC(=C2CCNCCCCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC(=CC(=C4)C)C

>  <Isomeric SMILES>
CCN(C(C)C)C(=O)C1=CC2=C(C=C1)NC(=C2CCNCCCCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC(=CC(=C4)C)C

>  <InChI Std. ID>
InChI=1S/C35H46N4O3S/c1-7-39(24(2)3)35(40)28-13-16-33-32(23-28)31(34(37-33)29-21-25(4)20-26(5)22-29)17-19-36-18-9-8-10-27-11-14-30(15-12-27)38-43(6,41)42/h11-16,20-24,36-38H,7-10,17-19H2,1-6H3

>  <InChI Key>
ATFRLQACYBGIPP-UHFFFAOYSA-N

