
 CHEMBL188173

 73 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL188173

>  <PubChem CID>
44396306

>  <Formula>
C27H40N4O2

>  <Molecular Weight>
452.643000

>  <IUPAC Name>
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[3-(diethylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)CCCN(C(C)C(=O)NC1CCCCC1)C(=O)C2=CC=C(N2)C3=CC=CC=C3

>  <Isomeric SMILES>
CCN(CC)CCCN(C(C)C(=O)NC1CCCCC1)C(=O)C2=CC=C(N2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C27H40N4O2/c1-4-30(5-2)19-12-20-31(21(3)26(32)28-23-15-10-7-11-16-23)27(33)25-18-17-24(29-25)22-13-8-6-9-14-22/h6,8-9,13-14,17-18,21,23,29H,4-5,7,10-12,15-16,19-20H2,1-3H3,(H,28,32)

>  <InChI Key>
AOJOWVZKOSBKPY-UHFFFAOYSA-N

