General Information of the Compound
| Compound ID |
CP0441736
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| Compound Name |
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CCCCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-3-5-6-7-23(30)28-19-11-8-17(9-12-19)14-15-27-25(31)24-20(4-2)21-16-18(26)10-13-22(21)29-24/h8-13,16,29H,3-7,14-15H2,1-2H3,(H,27,31)(H,28,30)
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| InChIKey |
RCNJZTHWNBKXOO-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