General Information of the Compound
| Compound ID |
CP0858720
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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]phenoxy}acetic acid ethyl ester HCl
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| Structure |
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| Formula |
C25H28ClF3N4O5
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| Molecular Weight |
556.969
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| Canonical SMILES |
CCOC(=O)COc1ccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1.Cl
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| InChI |
InChI=1S/C25H27F3N4O5.ClH/c1-2-36-24(34)14-37-18-5-3-15(4-6-18)13-30-25(35)22-7-8-31-32(22)23(33)11-17(29)9-16-10-20(27)21(28)12-19(16)26;/h3-6,8,10,12,17,22H,2,7,9,11,13-14,29H2,1H3,(H,30,35);1H/t17-,22?;/m1./s1
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| InChIKey |
VLLLKTQKPLMMGI-UNJGFRQOSA-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