General Information of the Compound
| Compound ID |
CP0425376
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| Compound Name |
1-oxo-3-phenyl-6-(3-phenylpropoxy)-1H-indene-2-carboxylicacid ethyl ester
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| Structure |
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| Formula |
C27H24O4
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| Molecular Weight |
412.485
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(OCCCc3ccccc3)cc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C27H24O4/c1-2-30-27(29)25-24(20-13-7-4-8-14-20)22-16-15-21(18-23(22)26(25)28)31-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3
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| InChIKey |
GRNJWSWEMSYMHQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound