General Information of the Compound
| Compound ID |
CP0858724
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid benzyl ester HCl
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| Structure |
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| Formula |
C21H21ClF3N3O3
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| Molecular Weight |
455.864
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)OCc1ccccc1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C21H20F3N3O3.ClH/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(28)27-19(6-7-26-27)21(29)30-12-13-4-2-1-3-5-13;/h1-5,7,9,11,15,19H,6,8,10,12,25H2;1H/t15-,19?;/m1./s1
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| InChIKey |
KIJYMERJUVESPK-FMBFNYOVSA-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