General Information of the Compound
| Compound ID |
CP0015291
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| Compound Name |
N,N-diethylethanamine;5-[2-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)pyridin-4-yl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
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| Structure |
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| Formula |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
CCN(CC)CC.O=C1CC(=O)N(c2ccnc(c2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
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| InChI |
InChI=1S/C20H13N5O3S.C6H15N/c26-16-10-17(27)25(12-7-8-21-14(9-12)19-23-20(29)28-24-19)15-6-5-11-3-1-2-4-13(11)18(15)22-16;1-4-7(5-2)6-3/h1-9H,10H2,(H,22,26)(H,23,24,29);4-6H2,1-3H3
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| InChIKey |
MTKQIUDYZPMMBH-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