General Information of the Compound
| Compound ID |
CP0471600
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| Compound Name |
N-methyl-8-[[3-(methylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C22H18N4O2S2
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| Molecular Weight |
434.546
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| Canonical SMILES |
CNC(=O)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NC)cccc2c1
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| InChI |
InChI=1S/C22H18N4O2S2/c1-23-21(27)15-9-13-5-3-7-17(19(13)25-11-15)29-30-18-8-4-6-14-10-16(22(28)24-2)12-26-20(14)18/h3-12H,1-2H3,(H,23,27)(H,24,28)
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| InChIKey |
QNMAPJPZQPPOIL-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