General Information of the Compound
| Compound ID |
CP0536536
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1,2-oxazol-3-yl]-6-oxohexanoate
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| Structure |
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| Formula |
C26H29ClN3NaO4S
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| Molecular Weight |
538.045
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| Canonical SMILES |
[Na+].CC(C)Cc1nc(cs1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C26H30ClN3O4S.Na/c1-14(2)10-22-29-20(13-35-22)26-24(16-5-6-16)25(30-34-26)17(7-9-23(32)33)12-21(31)28-19-8-4-15(3)11-18(19)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,28,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
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| InChIKey |
ASRXEBLZZLAIRG-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