General Information of the Compound
| Compound ID |
CP0876327
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| Compound Name |
(2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-diaza-tricyclo[5.2.2.0*2,6*]undec-10-ene-3,5,9-trione
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| Structure |
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| Formula |
C20H15N3O5
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| Molecular Weight |
377.356
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| Canonical SMILES |
CN1C(=O)C2C=CC1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21
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| InChI |
InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15-17H,1H3/t12?,15?,16-,17+/m1/s1
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| InChIKey |
AWUASRQQAQTHGV-ULNHQPMUSA-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