
 CHEMBL292227

 70 73  0  0  0  0  0  0  0  0999 V2000
    7.1068   -5.4593   -4.6957 C   0  0  0  0  0
    6.4484   -5.1238   -3.3586 C   0  0  0  0  0
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   -1.0191   -1.2365    1.9171 H   0  0  0  0  0
   -0.3072    1.0373    1.2282 H   0  0  0  0  0
    0.3081    1.4905   -1.1126 H   0  0  0  0  0
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    5.8141   -8.2103   -2.0901 H   0  0  0  0  0
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    9.1602   -8.6309   -3.1841 H   0  0  0  0  0
   10.6232  -10.5560   -2.7158 H   0  0  0  0  0
   10.8056  -11.4583   -0.4130 H   0  0  0  0  0
    9.4960  -10.4310    1.4256 H   0  0  0  0  0
    8.0120   -8.5135    0.9770 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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  2 28  1  0  0  0
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 36 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL292227

>  <PubChem CID>
44300357

>  <Formula>
C30H34N4O2

>  <Molecular Weight>
482.628000

>  <IUPAC Name>
3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[2-(2-phenylethylamino)propanoylamino]propanamide

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCCC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H34N4O2/c1-22(31-18-16-23-10-4-2-5-11-23)29(35)34-28(20-25-21-33-27-15-9-8-14-26(25)27)30(36)32-19-17-24-12-6-3-7-13-24/h2-15,21-22,28,31,33H,16-20H2,1H3,(H,32,36)(H,34,35)

>  <InChI Key>
CVEMWPNQHFKFCM-UHFFFAOYSA-N

