General Information of the Compound
| Compound ID |
CP0445558
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| Compound Name |
(3S)-3-(2,4-dichlorophenyl)-3-[[5-(3,3-dimethyl-2-oxobutoxy)-1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H24Cl2FN3O5
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| Molecular Weight |
536.387
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| Canonical SMILES |
CC(C)(C)C(=O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H24Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-/m0/s1
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| InChIKey |
WDUCEUQXQWCDDS-SFHVURJKSA-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