General Information of the Compound
| Compound ID |
CP0542756
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(1,1-difluoro-2-methylpropyl)-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-6-oxohexanoate
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| Structure |
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| Formula |
C26H27ClF2N3NaO5
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| Molecular Weight |
557.957
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| Canonical SMILES |
[Na+].CC(C)C(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C26H28ClF2N3O5.Na/c1-13(2)26(28,29)20-12-19(31-36-20)25-23(15-5-6-15)24(32-37-25)16(7-9-22(34)35)11-21(33)30-18-8-4-14(3)10-17(18)27;/h4,8,10,12-13,15-16H,5-7,9,11H2,1-3H3,(H,30,33)(H,34,35);/q;+1/p-1/t16-;/m0./s1
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| InChIKey |
YLCHKTDVTMEQBL-NTISSMGPSA-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