General Information of the Compound
| Compound ID |
CP0876906
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| Compound Name |
(R)-{3-[{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)COc1cccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1.Cl
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| InChI |
InChI=1S/C24H25F3N4O5.ClH/c1-2-35-23(33)13-36-17-5-3-4-16(11-17)30-24(34)21-6-7-29-31(21)22(32)10-15(28)8-14-9-19(26)20(27)12-18(14)25;/h3-5,7,9,11-12,15,21H,2,6,8,10,13,28H2,1H3,(H,30,34);1H/t15-,21?;/m1./s1
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| InChIKey |
XLKYEIBKGIAMAB-NBDGTZBISA-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