General Information of the Compound
| Compound ID |
CP0521102
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| Compound Name |
4-(4-aminophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]butanamide
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| Structure |
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| Formula |
C18H18F3N3O4
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| Molecular Weight |
397.353
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| Canonical SMILES |
CC(O)(CCc1ccc(N)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18F3N3O4/c1-17(26,9-8-11-2-4-12(22)5-3-11)16(25)23-13-6-7-15(24(27)28)14(10-13)18(19,20)21/h2-7,10,26H,8-9,22H2,1H3,(H,23,25)
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| InChIKey |
YPJUNXJGTPZPSW-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