General Information of the Compound
| Compound ID |
CP0378529
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| Compound Name |
2-[1-[(4-tert-butylphenyl)methyl]-5-(3-ethoxyphenyl)indol-3-yl]acetamide
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| Structure |
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| Formula |
C29H32N2O2
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| Molecular Weight |
440.587
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| Canonical SMILES |
CCOc1cccc(c1)-c1ccc2n(Cc3ccc(cc3)C(C)(C)C)cc(CC(N)=O)c2c1
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| InChI |
InChI=1S/C29H32N2O2/c1-5-33-25-8-6-7-21(15-25)22-11-14-27-26(16-22)23(17-28(30)32)19-31(27)18-20-9-12-24(13-10-20)29(2,3)4/h6-16,19H,5,17-18H2,1-4H3,(H2,30,32)
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| InChIKey |
SPIHHJKZCNCJAH-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