General Information of the Compound
| Compound ID |
CP0486588
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| Compound Name |
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(naphthalen-1-ylamino)methyl]pentan-2-ol
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| Structure |
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| Formula |
C24H25F4NO2
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| Molecular Weight |
435.461
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C24H25F4NO2/c1-22(2,19-13-17(25)11-12-21(19)31-3)14-23(30,24(26,27)28)15-29-20-10-6-8-16-7-4-5-9-18(16)20/h4-13,29-30H,14-15H2,1-3H3
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| InChIKey |
ORZKYLGIGBLKSG-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: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor