General Information of the Compound
| Compound ID |
CP0453346
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| Compound Name |
2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(2-fluro-4-methanesulfonylamino-benzyl)-thioureido-N-hydroxy]-propyl ester
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| Structure |
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| Formula |
C26H36FN3O5S2
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| Molecular Weight |
553.722
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| Canonical SMILES |
Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1C
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| InChI |
InChI=1S/C26H36FN3O5S2/c1-17-7-8-19(11-18(17)2)12-20(16-35-24(31)26(3,4)5)15-30(32)25(36)28-14-21-9-10-22(13-23(21)27)29-37(6,33)34/h7-11,13,20,29,32H,12,14-16H2,1-6H3,(H,28,36)
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| InChIKey |
GNVAHIVUDSENRG-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