General Information of the Compound
| Compound ID |
CP0421859
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| Compound Name |
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C21H21F3N2O3
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| Molecular Weight |
406.404
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| Canonical SMILES |
COc1ccc2[nH]c(C)c(C(C)CNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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| InChI |
InChI=1S/C21H21F3N2O3/c1-12(19-13(2)26-18-9-8-16(28-3)10-17(18)19)11-25-20(27)14-4-6-15(7-5-14)29-21(22,23)24/h4-10,12,26H,11H2,1-3H3,(H,25,27)
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| InChIKey |
VNBJRDLLCXDMQX-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