General Information of the Compound
| Compound ID |
CP0512798
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| Compound Name |
6-(4-amino-3-methylphenyl)-8-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-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 |
C22H21BrN4O4
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| Molecular Weight |
485.338
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| Canonical SMILES |
Cc1cc(ccc1N)C1=NN(CC2CC(Br)=NO2)C(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C22H21BrN4O4/c1-12-6-13(2-3-17(12)24)22-16-10-19-18(29-4-5-30-19)7-14(16)8-21(28)27(25-22)11-15-9-20(23)26-31-15/h2-3,6-7,10,15H,4-5,8-9,11,24H2,1H3
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| InChIKey |
YYXVQJJRUFHQSF-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