General Information of the Compound
| Compound ID |
CP0546922
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-6-oxohexanoate
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| Structure |
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| Formula |
C27H29ClF2N3NaO5
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| Molecular Weight |
571.984
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| Canonical SMILES |
[Na+].Cc1ccc(NC(=O)C[C@H](CCC([O-])=O)c2noc(-c3cc(on3)C(F)(F)C(C)(C)C)c2C2CC2)c(Cl)c1
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| InChI |
InChI=1S/C27H30ClF2N3O5.Na/c1-14-5-9-18(17(28)11-14)31-21(34)12-16(8-10-22(35)36)24-23(15-6-7-15)25(38-33-24)19-13-20(37-32-19)27(29,30)26(2,3)4;/h5,9,11,13,15-16H,6-8,10,12H2,1-4H3,(H,31,34)(H,35,36);/q;+1/p-1/t16-;/m0./s1
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| InChIKey |
GQTIEAZUGBWSBC-NTISSMGPSA-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