General Information of the Compound
| Compound ID |
CP0955609
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| Compound Name |
4-({3-(acetylthio)-8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)-methyl]phenoxy}ethyl)(methyl)amino]-8-oxooctyl}thio)-4-oxobutanoic acid sodium salt
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| Structure |
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| Formula |
C27H35N2NaO8S3
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| Molecular Weight |
634.774
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| Canonical SMILES |
CC(=O)SC(CCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1)CCSC(=O)CCC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C27H36N2O8S3.Na/c1-18(30)39-21(13-16-38-25(34)12-11-24(32)33)5-3-4-6-23(31)29(2)14-15-37-20-9-7-19(8-10-20)17-22-26(35)28-27(36)40-22;/h7-10,21-22H,3-6,11-17H2,1-2H3,(H,32,33)(H,28,35,36);/q;+1/p-1
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| InChIKey |
FXCQVHCJHQWBOK-UHFFFAOYSA-M
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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