General Information of the Compound
| Compound ID |
CP0012785
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| Compound Name |
sodium;5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]benzo[g][1,5]benzodiazepin-1-ide-2,4-dione
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| Structure |
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| Formula |
C21H13N4NaO3S
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| Molecular Weight |
424.417
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| Canonical SMILES |
[Na+].O=C1CC(=O)N(c2cccc(c2)-c2noc(=S)[n-]2)c2ccc3ccccc3c2N1
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| InChI |
InChI=1S/C21H14N4O3S.Na/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17;/h1-10H,11H2,(H2,22,23,24,26,29);/q;+1/p-1
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| InChIKey |
MIBCQKIVVIBTLQ-UHFFFAOYSA-M
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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