General Information of the Compound
| Compound ID |
CP0491350
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-[(4-fluoro-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl)formamido]butanoic acid
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| Structure |
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| Formula |
C25H32FN3O5
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| Molecular Weight |
473.545
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C25H32FN3O5/c1-13-10-14(2)20(15(3)11-13)29-24(33)27-19-12-17(26)8-9-18(19)22(30)28-21(23(31)32)16(4)34-25(5,6)7/h8-12,16,21H,1-7H3,(H,28,30)(H,31,32)(H2,27,29,33)/t16-,21+/m1/s1
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| InChIKey |
YJVWIBORNAOHFW-IERDGZPVSA-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