General Information of the Compound
| Compound ID |
CP0860626
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| Compound Name |
(2S,6R)-4-(3,4-Dimethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
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| Structure |
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| Formula |
C17H17NO2
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| Molecular Weight |
267.328
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| Canonical SMILES |
Cc1ccc(N2C(=O)[C@@H]3C4C=CC(C4)[C@@H]3C2=O)cc1C
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| InChI |
InChI=1S/C17H17NO2/c1-9-3-6-13(7-10(9)2)18-16(19)14-11-4-5-12(8-11)15(14)17(18)20/h3-7,11-12,14-15H,8H2,1-2H3/t11?,12?,14-,15+
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| InChIKey |
UUYUSNTYGICKSX-VWSDQGQDSA-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