General Information of the Compound
| Compound ID |
CP0709713
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| Compound Name |
(R)-4-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carbonyl}amino)methyl]benzoic acid HCl
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| Structure |
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| Formula |
C22H22ClF3N4O4
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| Molecular Weight |
498.889
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccc(C(=O)O)cc1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C22H21F3N4O4.ClH/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(30)29-19(5-6-28-29)21(31)27-11-12-1-3-13(4-2-12)22(32)33;/h1-4,6,8,10,15,19H,5,7,9,11,26H2,(H,27,31)(H,32,33);1H/t15-,19?;/m1./s1
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| InChIKey |
FITSECUTNNRDSP-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