General Information of the Compound
| Compound ID |
CP0862669
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| Compound Name |
(2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione
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| Structure |
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| Formula |
C17H14F3NO2
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| Molecular Weight |
321.298
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C17H14F3NO2/c18-17(19,20)11-2-1-3-12(8-11)21-15(22)13-9-4-5-10(7-6-9)14(13)16(21)23/h1-5,8-10,13-14H,6-7H2/t9?,10?,13-,14+
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| InChIKey |
QCKPIKBKCZBMEY-SUBVLCJKSA-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
Cell-based Assay