General Information of the Compound
| Compound ID |
CP0524561
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| Compound Name |
2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-[3-{4-chloro-phenyl-sulfonyl}-urea-1-yl]-propionamide
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| Structure |
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| Formula |
C25H25ClN4O10S2
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| Molecular Weight |
641.08
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
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| InChI |
InChI=1S/C25H25ClN4O10S2/c1-38-18-5-9-20(10-6-18)42(36,37)30(14-16-2-11-22-23(12-16)40-15-39-22)21(24(31)28-33)13-27-25(32)29-41(34,35)19-7-3-17(26)4-8-19/h2-12,21,33H,13-15H2,1H3,(H,28,31)(H2,27,29,32)/t21-/m1/s1
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| InChIKey |
IKGRNTUENROFIR-OAQYLSRUSA-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