General Information of the Compound
| Compound ID |
CP0109997
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| Compound Name |
N-(1,3-oxazol-2-yl)-8-[[3-(1,3-oxazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H16N6O4S2
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| Molecular Weight |
540.586
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| Canonical SMILES |
O=C(Nc1ncco1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3ncco3)cccc2c1
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| InChI |
InChI=1S/C26H16N6O4S2/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
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| InChIKey |
XABQDVKTPWAYAO-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