General Information of the Compound
| Compound ID |
CP0734562
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid 4-aminobenzyl amide HCl
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| Structure |
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| Formula |
C21H23ClF3N5O2
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| Molecular Weight |
469.895
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| Canonical SMILES |
Cl.Nc1ccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
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| InChI |
InChI=1S/C21H22F3N5O2.ClH/c22-16-10-18(24)17(23)8-13(16)7-15(26)9-20(30)29-19(5-6-28-29)21(31)27-11-12-1-3-14(25)4-2-12;/h1-4,6,8,10,15,19H,5,7,9,11,25-26H2,(H,27,31);1H/t15-,19?;/m1./s1
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| InChIKey |
GGURMVFHIOFHLG-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