General Information of the Compound
| Compound ID |
CP0922704
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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 HCl
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| Structure |
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| Formula |
C22H22ClF3N4O5
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| Molecular Weight |
514.888
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1cccc(OCC(=O)O)c1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C22H21F3N4O5.ClH/c23-16-10-18(25)17(24)7-12(16)6-13(26)8-20(30)29-19(4-5-27-29)22(33)28-14-2-1-3-15(9-14)34-11-21(31)32;/h1-3,5,7,9-10,13,19H,4,6,8,11,26H2,(H,28,33)(H,31,32);1H/t13-,19?;/m1./s1
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| InChIKey |
GGAIYGXVOCUROA-LXGHZNGXSA-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