General Information of the Compound
| Compound ID |
CP0536537
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(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 |
C27H31ClN3NaO5
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| Molecular Weight |
536.004
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| Canonical SMILES |
[Na+].Cc1ccc(NC(=O)C[C@H](CCC([O-])=O)c2noc(-c3cc(CC(C)(C)C)on3)c2C2CC2)c(Cl)c1
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| InChI |
InChI=1S/C27H32ClN3O5.Na/c1-15-5-9-20(19(28)11-15)29-22(32)12-17(8-10-23(33)34)25-24(16-6-7-16)26(36-31-25)21-13-18(35-30-21)14-27(2,3)4;/h5,9,11,13,16-17H,6-8,10,12,14H2,1-4H3,(H,29,32)(H,33,34);/q;+1/p-1/t17-;/m0./s1
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| InChIKey |
KRSIKEZGUPCYPM-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