General Information of the Compound
| Compound ID |
CP0512797
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| Compound Name |
6-(4-aminophenyl)-8-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3,10-dihydro-2H-[1,4]dioxino[2,3-h][2,3]benzodiazepin-9-one
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| Structure |
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| Formula |
C20H17BrN4O4
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| Molecular Weight |
457.284
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| Canonical SMILES |
Nc1ccc(cc1)C1=NN(C2CC(Br)=NO2)C(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C20H17BrN4O4/c21-17-10-19(29-24-17)25-18(26)8-12-7-15-16(28-6-5-27-15)9-14(12)20(23-25)11-1-3-13(22)4-2-11/h1-4,7,9,19H,5-6,8,10,22H2
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| InChIKey |
WXZDBSUEQSNNNB-UHFFFAOYSA-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