General Information of the Compound
| Compound ID |
CP0012786
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| Compound Name |
sodium;10-methyl-5-[3-(5-sulfanylidene-1-oxa-2-aza-4-azanidacyclopent-2-en-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
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| Structure |
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| Formula |
C22H15N4NaO3S
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| Molecular Weight |
438.444
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| Canonical SMILES |
[Na+].Cc1ccc2ccc3N(c4cccc(c4)-c4noc(=S)[n-]4)C(=O)CC(=O)Nc3c2c1
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| InChI |
InChI=1S/C22H16N4O3S.Na/c1-12-5-6-13-7-8-17-20(16(13)9-12)23-18(27)11-19(28)26(17)15-4-2-3-14(10-15)21-24-22(30)29-25-21;/h2-10H,11H2,1H3,(H2,23,24,25,27,30);/q;+1/p-1
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| InChIKey |
VYWFBVCAIAEAAX-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