General Information of the Compound
| Compound ID |
CP0009019
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| Compound Name |
N,N-diethylethanamine;5-[3-methyl-5-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
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| Structure |
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| Formula |
C28H31N5O3S
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| Molecular Weight |
517.655
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| Canonical SMILES |
CCN(CC)CC.Cc1cc(cc(c1)-c1noc(=S)[nH]1)N1c2ccc3ccccc3c2NC(=O)CC1=O
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| InChI |
InChI=1S/C22H16N4O3S.C6H15N/c1-12-8-14(21-24-22(30)29-25-21)10-15(9-12)26-17-7-6-13-4-2-3-5-16(13)20(17)23-18(27)11-19(26)28;1-4-7(5-2)6-3/h2-10H,11H2,1H3,(H,23,27)(H,24,25,30);4-6H2,1-3H3
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| InChIKey |
OCMCFJHNKGQAJA-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