General Information of the Compound
| Compound ID |
CP0855812
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| Compound Name |
(2S,6R)-4-Naphthalen-2-yl-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 |
C19H15NO2
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| Molecular Weight |
289.334
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc2ccccc2c1
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| InChI |
InChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,16-17H,9H2/t13?,14?,16-,17+
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| InChIKey |
IWEYLRTVUSIJEN-KZNFOHLHSA-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