General Information of the Compound
| Compound ID |
CP0528301
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(1,1-difluoro-3-methylbutyl)-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+].CC(C)CC(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C27H30ClF2N3O5.Na/c1-14(2)13-27(29,30)21-12-20(32-37-21)26-24(16-5-6-16)25(33-38-26)17(7-9-23(35)36)11-22(34)31-19-8-4-15(3)10-18(19)28;/h4,8,10,12,14,16-17H,5-7,9,11,13H2,1-3H3,(H,31,34)(H,35,36);/q;+1/p-1/t17-;/m0./s1
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| InChIKey |
WDYGVPYKCQLXIR-LMOVPXPDSA-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