General Information of the Compound
| Compound ID |
CP0079009
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| Compound Name |
N-(1,3-thiazol-2-ylmethyl)-8-[[3-(1,3-thiazol-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C28H20N6O2S4
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| Molecular Weight |
600.776
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| Canonical SMILES |
O=C(NCc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3nccs3)cccc2c1
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| InChI |
InChI=1S/C28H20N6O2S4/c35-27(33-15-23-29-7-9-37-23)19-11-17-3-1-5-21(25(17)31-13-19)39-40-22-6-2-4-18-12-20(14-32-26(18)22)28(36)34-16-24-30-8-10-38-24/h1-14H,15-16H2,(H,33,35)(H,34,36)
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| InChIKey |
GAKYIVFGFVBUQD-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