General Information of the Compound
| Compound ID |
CP0385013
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| Compound Name |
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol
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| Structure |
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| Formula |
C23H24F4N2O2
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| Molecular Weight |
436.449
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
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| InChIKey |
BDZYLNZLEGRWAZ-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