General Information of the Compound
| Compound ID |
CP0883915
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| Compound Name |
(2R,6S)-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
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| Structure |
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| Formula |
C15H12N2O4
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| Molecular Weight |
284.271
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C15H12N2O4/c18-14-12-8-1-2-9(7-8)13(12)15(19)16(14)10-3-5-11(6-4-10)17(20)21/h1-6,8-9,12-13H,7H2/t8?,9?,12-,13+
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| InChIKey |
KQEVIRDFQKXDCH-FNSGDYKBSA-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