
 CHEMBL504114

 87 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL504114

>  <PubChem CID>
24769604

>  <Formula>
C38H38FN5O5

>  <Molecular Weight>
663.750000

>  <IUPAC Name>
3-[(3S)-4-[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carbonyl]-3-(propan-2-ylcarbamoyl)piperazin-1-yl]naphthalene-1-carboxylic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=C(C=C(C=C3)C)F)C(=O)N4CCN(CC4C(=O)NC(C)C)C5=CC6=CC=CC=C6C(=C5)C(=O)O

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=C(C=C(C=C3)C)F)C(=O)N4CCN(C[C@H]4C(=O)NC(C)C)C5=CC6=CC=CC=C6C(=C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C38H38FN5O5/c1-5-49-28-11-8-10-26(19-28)44-21-33(41-35(44)30-14-13-24(4)17-32(30)39)37(46)43-16-15-42(22-34(43)36(45)40-23(2)3)27-18-25-9-6-7-12-29(25)31(20-27)38(47)48/h6-14,17-21,23,34H,5,15-16,22H2,1-4H3,(H,40,45)(H,47,48)/t34-/m0/s1

>  <InChI Key>
LSCIMDSUMCZFEP-UMSFTDKQSA-N

