General Information of the Compound
| Compound ID |
CP0559600
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(3-methylbutyl)-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-6-oxohexanoate
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| Structure |
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| Formula |
C27H31ClN3NaO5
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| Molecular Weight |
536.004
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| Canonical SMILES |
[Na+].CC(C)CCc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C27H32ClN3O5.Na/c1-15(2)4-9-19-14-22(30-35-19)27-25(17-6-7-17)26(31-36-27)18(8-11-24(33)34)13-23(32)29-21-10-5-16(3)12-20(21)28;/h5,10,12,14-15,17-18H,4,6-9,11,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t18-;/m0./s1
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| InChIKey |
NIOYFZSNTLILBM-FERBBOLQSA-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