General Information of the Compound
| Compound ID |
CP0555848
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| Compound Name |
(3S)-3-[3-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C26H27F4N3O7
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| Molecular Weight |
569.508
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| Canonical SMILES |
CC(C)(C)c1ccccc1NC(=O)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C26H27F4N3O7/c1-26(2,3)13-6-4-5-7-16(13)33-25(39)24(38)31-9-8-19(35)32-17(11-20(36)37)18(34)12-40-23-21(29)14(27)10-15(28)22(23)30/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,31,38)(H,32,35)(H,33,39)(H,36,37)/t17-/m0/s1
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| InChIKey |
RKXMFDKERFXSOQ-KRWDZBQOSA-N
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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