General Information of the Compound
| Compound ID |
CP0398690
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| Compound Name |
N-[2-(4-acetamidophenyl)ethyl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C21H22ClN3O2/c1-3-17-18-12-15(22)6-9-19(18)25-20(17)21(27)23-11-10-14-4-7-16(8-5-14)24-13(2)26/h4-9,12,25H,3,10-11H2,1-2H3,(H,23,27)(H,24,26)
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| InChIKey |
HYEYYISNOFZJHL-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