General Information of the Compound
| Compound ID |
CP0534119
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| Compound Name |
5-Methyl-isoxazole-4-carboxylic acid {2-[benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-amide
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| Structure |
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| Formula |
C23H24N4O9S
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| Molecular Weight |
532.531
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)c1cnoc1C)C(=O)NO
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| InChI |
InChI=1S/C23H24N4O9S/c1-14-18(10-25-36-14)22(28)24-11-19(23(29)26-30)27(12-15-3-8-20-21(9-15)35-13-34-20)37(31,32)17-6-4-16(33-2)5-7-17/h3-10,19,30H,11-13H2,1-2H3,(H,24,28)(H,26,29)/t19-/m1/s1
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| InChIKey |
ICDUIDUYVDINDU-LJQANCHMSA-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