General Information of the Compound
| Compound ID |
CP0536538
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-fluoroanilino)-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 |
C26H26ClF3N3NaO5
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| Molecular Weight |
575.947
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| Canonical SMILES |
[Na+].CC(C)(C)C(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(F)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C26H27ClF3N3O5.Na/c1-25(2,3)26(29,30)19-12-18(32-37-19)24-22(13-4-5-13)23(33-38-24)14(6-9-21(35)36)10-20(34)31-17-8-7-15(28)11-16(17)27;/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,31,34)(H,35,36);/q;+1/p-1/t14-;/m0./s1
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| InChIKey |
VIAJIDGJPWSWAI-UQKRIMTDSA-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