General Information of the Compound
| Compound ID |
CP0327580
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| Compound Name |
methyl 2-[[8-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carbonyl]amino]acetate
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| Structure |
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| Formula |
C26H22N4O6S2
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| Molecular Weight |
550.618
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| Canonical SMILES |
COC(=O)CNC(=O)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCC(=O)OC)cccc2c1
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| InChI |
InChI=1S/C26H22N4O6S2/c1-35-21(31)13-29-25(33)17-9-15-5-3-7-19(23(15)27-11-17)37-38-20-8-4-6-16-10-18(12-28-24(16)20)26(34)30-14-22(32)36-2/h3-12H,13-14H2,1-2H3,(H,29,33)(H,30,34)
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| InChIKey |
KWDAVAFOLMHSLD-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