General Information of the Compound
| Compound ID |
CP0957059
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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 methyl ester HCl
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| Structure |
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| Formula |
C23H24ClF3N4O4
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| Molecular Weight |
512.916
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| Canonical SMILES |
COC(=O)c1ccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1.Cl
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| InChI |
InChI=1S/C23H23F3N4O4.ClH/c1-34-23(33)14-4-2-13(3-5-14)12-28-22(32)20-6-7-29-30(20)21(31)10-16(27)8-15-9-18(25)19(26)11-17(15)24;/h2-5,7,9,11,16,20H,6,8,10,12,27H2,1H3,(H,28,32);1H/t16-,20?;/m1./s1
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| InChIKey |
PXVKITJQGTYTEY-SSEZRWRESA-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