General Information of the Compound
| Compound ID |
CP0439571
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| Compound Name |
(2S)-2-cyclohexyl-2-[(4-fluoro-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl)formamido]acetic acid
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| Structure |
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| Formula |
C25H30FN3O4
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| Molecular Weight |
455.53
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| Canonical SMILES |
Cc1cc(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/C25H30FN3O4/c1-14-11-15(2)21(16(3)12-14)29-25(33)27-20-13-18(26)9-10-19(20)23(30)28-22(24(31)32)17-7-5-4-6-8-17/h9-13,17,22H,4-8H2,1-3H3,(H,28,30)(H,31,32)(H2,27,29,33)/t22-/m0/s1
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| InChIKey |
LXUCNIAYEZWFKL-QFIPXVFZSA-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