General Information of the Compound
| Compound ID |
CP0090808
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| Compound Name |
3-(3-fluorophenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one
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| Structure |
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| Formula |
C22H19FN2O3
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| Molecular Weight |
378.403
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
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| InChI |
InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3
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| InChIKey |
HQCVWNZJFCYZOD-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor