| Drug Name |
LY-292728
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| Synonyms |
LY-292728; LY 292728; 153034-77-6; CHEMBL292782; 9H-Xanthene-4-propanoicacid,7-carboxy-3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-9-oxo-; ACMC-20ddq7; AC1Q4NQC; AC1L4UN3; SCHEMBL13696764; CTK4C7669; DTXSID00165204; BDBM50029464; 9h-xanthene-4-propanoic acid, 7-carboxy-3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-9-oxo-; L011726; 5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxoxanthene-2-carboxylic acid
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| Drug Type |
Small molecular drug
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| Structure |
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 3 |
Molecular Weight (mw) |
600.6 |
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| Logarithm of the Partition Coefficient (xlogp) |
6.4 |
| Rotatable Bond Count (rotbonds) |
12 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
10 |
| Chemical Identifiers |
- Formula
- C34H29FO9
- IUPAC Name
5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxoxanthene-2-carboxylic acid - Canonical SMILES
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CCC1=CC(=C(C=C1OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O)O)C5=CC=C(C=C5)F
- InChI
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InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
- InChIKey
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DCTKEJXAVFAMFK-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 192617
- CAS Number
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- TTD ID
- D01XMO
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