General Information of the Compound
| Compound ID |
CP0371845
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| Compound Name |
N-[2-(5-tert-butyl-1H-indol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C22H23F3N2O2
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| Molecular Weight |
404.432
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| Canonical SMILES |
CC(C)(C)c1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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| InChI |
InChI=1S/C22H23F3N2O2/c1-21(2,3)16-6-9-19-18(12-16)15(13-27-19)10-11-26-20(28)14-4-7-17(8-5-14)29-22(23,24)25/h4-9,12-13,27H,10-11H2,1-3H3,(H,26,28)
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| InChIKey |
UKIPKXUMFGCPIQ-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