General Information of the Compound
| Compound ID |
CP0876905
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| Compound Name |
(R)-{2-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carbonyl}amino]phenoxy}acetic acid ethyl ester HCl
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| Structure |
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| Formula |
C24H26ClF3N4O5
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| Molecular Weight |
542.942
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| Canonical SMILES |
CCOC(=O)COc1ccccc1NC(=O)C1CC=NN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.Cl
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| InChI |
InChI=1S/C24H25F3N4O5.ClH/c1-2-35-23(33)13-36-21-6-4-3-5-19(21)30-24(34)20-7-8-29-31(20)22(32)11-15(28)9-14-10-17(26)18(27)12-16(14)25;/h3-6,8,10,12,15,20H,2,7,9,11,13,28H2,1H3,(H,30,34);1H/t15-,20?;/m1./s1
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| InChIKey |
VAMLRHHAJDWZLC-SMRSSTSJSA-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