General Information of the Compound
| Compound ID |
CP0015252
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| Compound Name |
7-bromo-5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione;N,N-diethylethanamine
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| Structure |
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| Formula |
C27H28BrN5O3S
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| Molecular Weight |
582.524
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| Canonical SMILES |
CCN(CC)CC.Brc1cc2N(c3cccc(c3)-c3noc(=S)[nH]3)C(=O)CC(=O)Nc2c2ccccc12
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| InChI |
InChI=1S/C21H13BrN4O3S.C6H15N/c22-15-9-16-19(14-7-2-1-6-13(14)15)23-17(27)10-18(28)26(16)12-5-3-4-11(8-12)20-24-21(30)29-25-20;1-4-7(5-2)6-3/h1-9H,10H2,(H,23,27)(H,24,25,30);4-6H2,1-3H3
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| InChIKey |
JUGVPLOHTDOKJN-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