General Information of the Compound
| Compound ID |
CP0921928
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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]phenoxy}-(R)-isopropyl acetic acid 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 |
CC(C)[C@@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(=O)O.Cl
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| InChI |
InChI=1S/C25H27F3N4O5.ClH/c1-13(2)23(25(35)36)37-17-5-3-16(4-6-17)31-24(34)21-7-8-30-32(21)22(33)11-15(29)9-14-10-19(27)20(28)12-18(14)26;/h3-6,8,10,12-13,15,21,23H,7,9,11,29H2,1-2H3,(H,31,34)(H,35,36);1H/t15-,21?,23-;/m1./s1
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| InChIKey |
JVOADIVULAQNRW-PUHWKWNMSA-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