General Information of the Compound
| Compound ID |
CP0472071
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| Compound Name |
(2S)-2-cyclohexyl-2-[(2-{[(2,6-dimethylphenyl)carbamoyl]amino}-4-fluorophenyl)formamido]acetic acid
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| Structure |
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| Formula |
C24H28FN3O4
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| Molecular Weight |
441.503
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C24H28FN3O4/c1-14-7-6-8-15(2)20(14)28-24(32)26-19-13-17(25)11-12-18(19)22(29)27-21(23(30)31)16-9-4-3-5-10-16/h6-8,11-13,16,21H,3-5,9-10H2,1-2H3,(H,27,29)(H,30,31)(H2,26,28,32)/t21-/m0/s1
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| InChIKey |
BIGDPUMSAKCSKE-NRFANRHFSA-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