General Information of the Compound
| Compound ID |
CP0513836
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| Compound Name |
2-[1-[(4-tert-butylphenyl)methyl]-5-(3-fluorophenyl)indol-3-yl]acetamide
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| Structure |
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| Formula |
C27H27FN2O
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| Molecular Weight |
414.524
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| Canonical SMILES |
CC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(ccc23)-c2cccc(F)c2)cc1
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| InChI |
InChI=1S/C27H27FN2O/c1-27(2,3)22-10-7-18(8-11-22)16-30-17-21(15-26(29)31)24-14-20(9-12-25(24)30)19-5-4-6-23(28)13-19/h4-14,17H,15-16H2,1-3H3,(H2,29,31)
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| InChIKey |
IVTGBANIFNSWMD-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