General Information of the Compound
| Compound ID |
CP0447705
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| Compound Name |
ethyl 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetate
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| Structure |
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| Formula |
C27H35NO2
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| Molecular Weight |
405.582
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| Canonical SMILES |
CCCCCCCCn1cc(CC(=O)OCC)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C27H35NO2/c1-4-6-7-8-9-10-16-28-20-24(19-27(29)30-5-2)25-18-23(14-15-26(25)28)22-13-11-12-21(3)17-22/h11-15,17-18,20H,4-10,16,19H2,1-3H3
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| InChIKey |
WUJQRINCIKGQRT-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