General Information of the Compound
| Compound ID |
CP0548962
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| Compound Name |
(2S)-2-[(2-{[(4-butyl-2,6-dimethylphenyl)carbamoyl]amino}-4-fluorophenyl)formamido]-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C28H36FN3O4
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| Molecular Weight |
497.611
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| Canonical SMILES |
CCCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C28H36FN3O4/c1-4-5-9-19-14-17(2)24(18(3)15-19)32-28(36)30-23-16-21(29)12-13-22(23)26(33)31-25(27(34)35)20-10-7-6-8-11-20/h12-16,20,25H,4-11H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t25-/m0/s1
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| InChIKey |
RQXYHVJAIRBCJV-VWLOTQADSA-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