General Information of the Compound
| Compound ID |
CP0058817
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| Compound Name |
(2-methylphenyl) 6-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C33H36N2O8S
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| Molecular Weight |
620.724
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| Canonical SMILES |
Cc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
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| InChI |
InChI=1S/C33H36N2O8S/c1-21-8-6-7-9-26(21)43-44(40,41)28-20-27-31(22-14-18-25(36)19-15-22)32(33(28)42-27)23-12-16-24(17-13-23)34-29(37)10-4-2-3-5-11-30(38)35-39/h6-9,12-19,27-28,33,36,39H,2-5,10-11,20H2,1H3,(H,34,37)(H,35,38)
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| InChIKey |
NZMKLSKDPIRQSD-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