General Information of the Compound
| Compound ID |
CP0327579
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| Compound Name |
benzyl 2-[[2-[[8-[[3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carbonyl]amino]acetyl]amino]acetate
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| Structure |
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| Formula |
C42H36N6O8S2
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| Molecular Weight |
816.918
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| Canonical SMILES |
O=C(CNC(=O)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCC(=O)NCC(=O)OCc3ccccc3)cccc2c1)NCC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C42H36N6O8S2/c49-35(43-23-37(51)55-25-27-9-3-1-4-10-27)21-47-41(53)31-17-29-13-7-15-33(39(29)45-19-31)57-58-34-16-8-14-30-18-32(20-46-40(30)34)42(54)48-22-36(50)44-24-38(52)56-26-28-11-5-2-6-12-28/h1-20H,21-26H2,(H,43,49)(H,44,50)(H,47,53)(H,48,54)
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| InChIKey |
ZDPCBPHQTOFVFY-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