General Information of the Compound
| Compound ID |
CP0572510
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| Compound Name |
N-tert-butyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
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| Formula |
C22H18F3N3O
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| Molecular Weight |
397.4
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| Canonical SMILES |
CC(C)(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
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| InChI |
InChI=1S/C22H18F3N3O/c1-22(2,3)28-21(29)12-5-4-6-16-11(12)7-8-17(27-16)14-10-26-20-13(14)9-15(23)18(24)19(20)25/h4-10,26H,1-3H3,(H,28,29)
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| InChIKey |
PIUYKMGEKSNCLH-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